(phenylmethyl) N-[4-methylpentanoyl-(3-phenylpropanoylamino)amino]-N-(7-nitro-6-oxidanylidene-heptyl)carbamate

Systemtic Name: (phenylmethyl) N-[4-methylpentanoyl-(3-phenylpropanoylamino)amino]-N-(7-nitro-6-oxidanylidene-heptyl)carbamate Openeye Name: benzyl N-[4-methylpentanoyl-(3-phenylpropanoylamino)amino]-N-(7-nitro-6-oxo-heptyl)carbamate CAS Name: N-[(4-methyl-1-oxopentyl)-[(1-oxo-3-phenylpropyl)amino]amino]-N-(7-nitro-6-oxoheptyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-methylpentanoyl-(3-phenylpropanoylamino)amino]-N-(7-nitro-6-oxoheptyl)carbamate Traditional Name: N-[(hydrocinnamoylamino)-(4-methylpentanoyl)amino]-N-(6-keto-7-nitro-heptyl)carbamic acid benzyl ester Formula: C30H40N4O7 MolecularWeight: 568.6612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(NC(=O)CCC1=CC=CC=C1)N(CCCCCC(=O)C[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCC(=O)N(NC(=O)CCC1=CC=CC=C1)N(CCCCCC(=O)C[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C30H40N4O7/c1-24(2)17-20-29(37)34(31-28(36)19-18-25-12-6-3-7-13-25)32(21-11-5-10-16-27(35)22-33(39)40)30(38)41-23-26-14-8-4-9-15-26/h3-4,6-9,12-15,24H,5,10-11,16-23H2,1-2H3,(H,31,36)