L-ornithinamide, l-valyl-n5- (aminocarbonyl) -n- [4- (4- (4- (4) (9ci, ACI) H335, H319, H315, H302

umphumela

L-ornithinamide, l-valyl-n5- (aminocarbonyl) -n- [4- (4- (4- (4) (9ci, ACI) H335, H319, H315, H302

Imininingwane eyisisekelo:


Imininingwane Yomkhiqizo

Amathegi Omkhiqizo

Izakhiwo Ezibonakalayo

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

Amanye amagama nezikhombi

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 Ezibikezelwe

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)

Ukubikezela ukubikezela

I-Spectra iyatholakala
1h NMR
I-13c NMR

Izitatimende Zobungozi BaseGhs

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

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