6-azanyl-N-[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]-2-[(4-nitrophenyl)amino]hexanamide

Systemtic Name: 6-azanyl-N-[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]-2-[(4-nitrophenyl)amino]hexanamide Openeye Name: 6-amino-N-[2-[(2-amino-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]-2-(4-nitroanilino)hexanamide CAS Name: 6-amino-N-[2-[(2-amino-3-methyl-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]-2-(4-nitroanilino)hexanamide IUPAC Name: 6-amino-N-[2-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoyl]-2-(4-nitroanilino)hexanamide Traditional Name: 6-amino-N-[2-[(2-amino-3-methyl-butanoyl)amino]-3-phenyl-propanoyl]-2-(4-nitroanilino)hexanamide Formula: C26H36N6O5 MolecularWeight: 512.60124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(=O)C(CCCCN)NC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(=O)C(CCCCN)NC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C26H36N6O5/c1-17(2)23(28)26(35)30-22(16-18-8-4-3-5-9-18)25(34)31-24(33)21(10-6-7-15-27)29-19-11-13-20(14-12-19)32(36)37/h3-5,8-9,11-14,17,21-23,29H,6-7,10,15-16,27-28H2,1-2H3,(H,30,35)(H,31,33,34)