S 2160

N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

Also Known As: Bzphevalargnan|Benzoyl-fvr-pna|Bz-Phe-Val-Arg-pNA.HCl|Bz-Phe-val-arg-paranitroanilide|Bz-Phe-Val-Arg-pNA . HCl|Benzoyl-phe-val-arg-p-nitroanilide|s2160|S 2160|N-Benzoyl-L-phenylalanyl-L-valyl-L-arginine-p-nitroanilide|S-2160|N-Benzoyl-Phe-Val-Arg-p-nitroanilide hydrochloride|N-alpha-benzoyl-L-phenylalanyl-L-valyl-L-arginine-p-nitroanilide|L-Argininamide, N-benzoyl-L-phenylalanyl-L-valyl-N-(4-nitrophenyl)-|N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide|Nalpha-Benzoyl-L-phenylalanyl-L-valyl-L-arginine-p-nitroanilide|n-benzoyl-l-phenylalanyl-n-{(2s)-5-[(diaminomethylidene)amino]-2-[(4-nitrophenyl)amino]pentanoyl}-l-valinamide|N-[(2S)-1-{[(2S)-1-{[(2S)-5-(Carbamimidoylamino)-1-hydroxy-2-(4-nitroanilino)pentylidene]amino}-3-methyl-1-oxobutan-2-yl]imino}-1-hydroxy-3-phenylpropan-2-yl]benzenecarboximidic acid|N-{1-[(1-{[5-Carbamimidamido-1-hydroxy-2-(4-nitroanilino)pentylidene]amino}-3-methyl-1-oxobutan-2-yl)imino]-1-hydroxy-3-phenylpropan-2-yl}benzenecarboximidic acid

Molecular Formula	C33H40N8O6
Molecular Weight	644.30707 g/mol
LogP	3.8
Topological Polar Surface Area	227.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	15
Exact Mass	644.30707
Monoisotopic Mass	644.30707
Heavy Atoms	47
Complexity	1070.0

Chemical Identifiers

CAS Number	39271-61-9
SMILES	CC(C)[C@@H](C(=O)NC(=O)[C@H](CCCN=C(N)N)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChIKey	IQFRQVCWHMZHOA-KCHLEUMXSA-N