4-[(2-benzamido-3-methyl-pentanoyl)amino]-5-[[2-[[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid hydrobromide

Systemtic Name: 4-[(2-benzamido-3-methyl-pentanoyl)amino]-5-[[2-[[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid hydrobromide Openeye Name: 4-[(2-benzamido-3-methyl-pentanoyl)amino]-5-[[2-[[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid hydrobromide CAS Name: 4-[(2-benzamido-3-methyl-1-oxopentyl)amino]-5-[[2-[[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid hydrobromide IUPAC Name: 4-[(2-benzamido-3-methylpentanoyl)amino]-5-[[2-[[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid hydrobromide Traditional Name: 4-[(2-benzamido-3-methyl-pentanoyl)amino]-5-[[2-[[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid hydrobromide Formula: C32H44BrN9O9 MolecularWeight: 778.65066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2.Br

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2.Br

InChI

InChI=1S/C32H43N9O9.BrH/c1-3-19(2)27(40-28(45)20-8-5-4-6-9-20)31(48)39-24(15-16-26(43)44)29(46)36-18-25(42)38-23(10-7-17-35-32(33)34)30(47)37-21-11-13-22(14-12-21)41(49)50;/h4-6,8-9,11-14,19,23-24,27H,3,7,10,15-18H2,1-2H3,(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,40,45)(H,43,44)(H4,33,34,35);1H