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

Systemtic Name: 6-azanyl-2-[[2-[(2-azanyl-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-N-(4-nitrophenyl)hexanamide Openeye Name: 6-amino-2-[[2-[(2-amino-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-N-(4-nitrophenyl)hexanamide CAS Name: 6-amino-2-[[2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxo-3-phenylpropyl]amino]-N-(4-nitrophenyl)hexanamide IUPAC Name: 6-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-N-(4-nitrophenyl)hexanamide Traditional Name: 6-amino-2-[[2-[(2-amino-3-methyl-pentanoyl)amino]-3-phenyl-propanoyl]amino]-N-(4-nitrophenyl)hexanamide Formula: C27H38N6O5 MolecularWeight: 526.62782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N6O5/c1-3-18(2)24(29)27(36)32-23(17-19-9-5-4-6-10-19)26(35)31-22(11-7-8-16-28)25(34)30-20-12-14-21(15-13-20)33(37)38/h4-6,9-10,12-15,18,22-24H,3,7-8,11,16-17,28-29H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)