N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide

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

Also Known As: Z-Phe-Cit 4-NPHA|N-Benzyloxycarbonylphenylalanyl-citrulline 4-nitroanilide|N-benzyloxycarbonyl-L-phenylalanylcitrulline para-nitroanilide|benzyloxycarbonyl-L-phenylalanyl-L-citrulline p-nitroanilide|benzyl N-[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate|N-[ carbonyl]-3-phenyl-L-alanyl-N5-carbamoyl-N- -L-ornithinamide|L-Ornithinamide, N-((phenylmethoxy)carbonyl)-L-phenylalanyl-N5-(aminocarbonyl)-N-(4-nitrophenyl)-|n|A-[(benzyloxy)carbonyl]-n-{(2s)-5-(carbamoylamino)-2-[(4-nitrophenyl)amino]pentanoyl}-l-phenylalaninamide|N-((Benzyloxy)carbonyl)-3-phenyl-L-alanyl-N5-carbamoyl-N-(p-nitrophenyl)-L-ornithinamide|N-[(benzyloxy)carbonyl]-3-phenyl-L-alanyl-N5-carbamoyl-N-(p-nitrophenyl)-L-ornithinamide|(2S)-N-{N-[(Benzyloxy)(hydroxy)methylidene]-L-phenylalanyl}-5-{[hydroxy(imino)methyl]amino}-2-(4-nitroanilino)pentanimidic acid|N-{N-[(Benzyloxy)(hydroxy)methylidene]phenylalanyl}-5-{[hydroxy(imino)methyl]amino}-2-(4-nitroanilino)pentanimidic acid

Molecular Formula	C29H32N6O7
Molecular Weight	576.2333 g/mol
LogP	3.6
Topological Polar Surface Area	197.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	14
Exact Mass	576.2333
Monoisotopic Mass	576.2333
Heavy Atoms	42
Complexity	893.0

Chemical Identifiers

CAS Number	6284-51-1
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)OCC3=CC=CC=C3
InChIKey	QROAVNLCELFCFQ-DQEYMECFSA-N