L-ornithinamide, l-valyl-n5- (aminocarbonyl) -n- [4- (4- (4- (4) (9ci, ACI) H335, H319, H315, H302
Izakhiwo ezisemqoka ezisemqoka | Thanda | Into efunekayo |
Isisindo molecular | 379.45 | - |
Iphoyinti elibilayo (abikezelwe) | 715.0 ± 60.0 ° C | Cindezela: 760 Torr |
Ubuningi (obubikezelwe) | I-1.243 ± 0.06 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr |
I-PKA (ebikezelwe) | 13.75 ± 0.46 | Iningi le-acid temp: 25 ° C |
Ukumamatheka kwe-canonical O = c (n) NCCCC (NC (= o) c (n) c (c) c (c) c) c (c) c) c (c) c) c (= o) nc) c (= o) nc1 = cc = c (c = c1) co
I-Isomeric Smiles [c @@ h h] (NC (C @ H] (c (c) (c (c) c) n) = o) (C (NC1 = c = c1) = = o
Inchi
Inchi = 1s / c18h29N5o4 / C1-11 (2) 15 (26) 23-13 (25) 22-20) 16 (25-3-3) 6- 12-3-3-24-15-124.14,9-19-10,19 H2,1-2HH3, (H, 22,25) (H, 23,20) (H3,206) (H3,20,212.27) / T14-, 15- / M0 / S1
Ukhiye we-inchi
Veggtwzuzggzy-gjzgruslsa-n
Amanye amagama ama-4 kule nto
L-Valyl-N5- (aminocarbonyl) -N- [4- (hydroxymethyl) phenyl] -l-ornithinamide (ACI); 1: PN: WO2023061224 Ikhasi: 34 bafuna ukulandelana; I-valene-citrullulline-p-Aminobenzzcylcarbarbarate; Vc-pab
Izakhiwo zitholakala |
Bitionalogical |
Okuthakiweyo |
Incekusana |
Lipinski |
Isakhiwo esihlobene |
Impamba |
Bitionalogical
Impahla | Thanda | Into efunekayo | Umthombo |
Isici se-BioConCentration | 1.0 | ph 1; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 2; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 3; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 4; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 5; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 6; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 7; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 8; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 9; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | ph 10; Temp: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Okuthakiweyo
Impahla | Thanda | Into efunekayo | Umthombo |
Ibhola | 1.0 | ph 1; Temp: 25 ° C | (1) ACD |
Ibhola | 1.0 | I-PH 2; Temp: 25 ° C | (1) ACD |
Ibhola | 1.0 | I-PH 3; Temp: 25 ° C | (1) ACD |
Ibhola | 1.0 | I-PH 4; Temp: 25 ° C | (1) ACD |
Ibhola | 1.0 | I-PH 5; Temp: 25 ° C | (1) ACD |
Ibhola | 1.0 | I-PH 6; Temp: 25 ° C | (1) ACD |
Ibhola | 1.0 | I-PH 7; Temp: 25 ° C | (1) ACD |
Ibhola | 6.00 | I-PH 8; Temp: 25 ° C | (1) ACD |
Ibhola | 13.2 | I-PH 9; Temp: 25 ° C | (1) ACD |
Ibhola | 15.0 | ph 10; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
into yokungena yogd | -3.53 | ph 1; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -3.46 | I-PH 2; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -3.45 | I-PH 3; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -3.42 | I-PH 4; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -3.20 | I-PH 5; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -2.50 | I-PH 6; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -1.57 | I-PH 7; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -0.76 | I-PH 8; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -0.42 | I-PH 9; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -0.36 | ph 10; Temp: 25 ° C | (1) ACD |
ngena ngemvume | -0.354 ± 0.602 | Temp: 25 ° C | (1) ACD |
I-SAST ENTINSIC SOLUBLIC | 1.6 g / l | Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | I-1000 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | I-1000 g / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | I-1000 g / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | I-1000 g / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | I-1000 g / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 220 g / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 26 g / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 4.2 g / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | I-1.9 g / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.6 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 1.6 g / l | Amanzi angafakwanga i-PH 9.89; Temp: 25 ° C | (1) ACD |
I-molar intrinsic soubility | 4.2 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
Molar solility | 2.64 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Molar solility | 2.64 mol / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Molar solility | 2.64 mol / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Molar solility | 2.64 mol / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Molar solility | 2.64 mol / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Molar solility | 0.59 mol / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Molar solility | 0.069 mol / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Molar solility | 0.011 mol / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Molar solility | 4.9 x 10-3 mol / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Molar solility | 4.3 x 10-3 mol / l | ph 10; Temp: 25 ° C | (1) ACD |
Molar solility | 4.3 x 10-3 mol / l | Amanzi angafakwanga i-PH 9.89; Temp: 25 ° C | (1) ACD |
Isisindo molecular | 379.45 | ||
i-pka | 13.75 ± 0.46 | Iningi le-acid temp: 25 ° C | (1) ACD |
i-pka | I-8.19 ± 0.33 | I-TEMP eyisisekelo Eyisisekelo: 25 ° C | (1) ACD |
Ingcindezi ye-vapor | 1.86 x 10-21 Torm | Temp: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Incekusana
Impahla | Thanda | Into efunekayo | Umthombo |
Incekusana | I-1.243 ± 0.06 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-motal | 305.2 ± 3.0 CM3 / Mol | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Lipinski
Impahla | Thanda | Into efunekayo | Umthombo |
Amabhondi ajikeleze ngokukhululeka | 12 | (1) ACD | |
Akwamukela | 9 | (1) ACD | |
H | 8 | (1) ACD | |
H Donor / ukwamukela inani | 17 | (1) ACD | |
ngena ngemvume | -0.354 ± 0.602 | Temp: 25 ° C | (1) ACD |
Isisindo molecular | 379.45 |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Isakhiwo esihlobene
Impahla | Thanda | Into efunekayo | Umthombo |
Indawo yePolar Surface | I-160 A2 | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Impamba
Impahla | Thanda | Into efunekayo | Umthombo |
Iphuzu elibilayo | 715.0 ± 60.0 ° C | Cindezela: 760 Torr | (1) ACD |
I-Enthalpy of Vaporization | 109.72 ± 3.0 KJ / Mol | Cindezela: 760 Torr | (1) ACD |
I-flash point | 386.2 ± 32.9 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
I-Spectra iyatholakala
1h NMR
I-13c NMR
Ukufingqwa | Isitatimende Sobungozi | Umthombo |
H335 | Kungadala ukucasuka okuphefumula | Ukuhlukaniswa Kwamakhemikhali E-European Agency (ECHA) & I-Labeng Inventory - Ukuhlukaniswa Kwaziswa - Ukufakwa Kwamalebula - Izaziso ezivamile, Ukufakwa Kwamabhantshi - Ukufakwa Kwamalebula - Izaziso Ezibucayi kakhulu |
H319 | Kubangela ukucasuka okukhulu kwamehlo | Ukuhlukaniswa Kwamakhemikhali E-European Agency (ECHA) & I-Labeng Inventory - Ukuhlukaniswa Kwaziswa - Ukufakwa Kwamalebula - Izaziso ezivamile, Ukufakwa Kwamabhantshi - Ukufakwa Kwamalebula - Izaziso Ezibucayi kakhulu |
H315 | Kubangela ukucasuka kwesikhumba | Ukuhlukaniswa Kwamakhemikhali E-European Agency (ECHA) & I-Labeng Inventory - Ukuhlukaniswa Kwaziswa - Ukufakwa Kwamalebula - Izaziso ezivamile, Ukufakwa Kwamabhantshi - Ukufakwa Kwamalebula - Izaziso Ezibucayi kakhulu |
H302 | Kuyingozi uma ugwinywa | Ukuhlukaniswa Kwamakhemikhali E-European Agency (ECHA) & I-Labeng Inventory - Ukuhlukaniswa Kwaziswa - Ukufakwa Kwamalebula - Izaziso ezivamile, Ukufakwa Kwamabhantshi - Ukufakwa Kwamalebula - Izaziso Ezibucayi kakhulu |