Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide

benzyl N-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate

Also Known As: Z-Gly-phe-cit 4-npha|Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide|N-Benzyloxycarbonyl-L-glycyl-phenylalanyl-citrulline para-nitroanilide|benzyl N-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate|benzyloxycarbonylglycyl-L-phenylalanyl-L-citrulline p-nitroanilide|L-Ornithinamide, N-((phenylmethoxy)carbonyl)glycyl-L-phenylalanyl-N5-(aminocarbonyl)-N-(4-nitrophenyl)-|n-[(benzyloxy)carbonyl]glycyl-n-{(2s)-5-(carbamoylamino)-2-[(4-nitrophenyl)amino]pentanoyl}-l-phenylalaninamide|(2S)-N-[N-(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1-hydroxyethylidene)-L-phenylalanyl]-5-{[hydroxy(imino)methyl]amino}-2-(4-nitroanilino)pentanimidic acid|N-[N-(2-{[(Benzyloxy)(hydroxy)methylidene]amino}-1-hydroxyethylidene)phenylalanyl]-5-{[hydroxy(imino)methyl]amino}-2-(4-nitroanilino)pentanimidic acid

Molecular Formula	C31H35N7O8
Molecular Weight	633.2547 g/mol
LogP	2.9
Topological Polar Surface Area	227.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	16
Exact Mass	633.2547
Monoisotopic Mass	633.2547
Heavy Atoms	46
Complexity	1020.0

Chemical Identifiers

CAS Number	1740-36-9
SMILES	C1=CC=C(C=C1)C[C@@H](C(=O)NC(=O)[C@H](CCCNC(=O)N)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)OCC3=CC=CC=C3
InChIKey	DDXCWQDMYVFWAY-UIOOFZCWSA-N