7-methoxy-5-(1-methylcyclohex-3-en-1-yl)sulfanyl-4,7-bis(oxidanylidene)-6-(phenylmethoxycarbonylamino)-2-[(phenylmethyl)amino]heptanoic acid

Systemtic Name: 7-methoxy-5-(1-methylcyclohex-3-en-1-yl)sulfanyl-4,7-bis(oxidanylidene)-6-(phenylmethoxycarbonylamino)-2-[(phenylmethyl)amino]heptanoic acid Openeye Name: 2-(benzylamino)-6-(benzyloxycarbonylamino)-7-methoxy-5-(1-methylcyclohex-3-en-1-yl)sulfanyl-4,7-dioxo-heptanoic acid CAS Name: 7-methoxy-5-[(1-methyl-1-cyclohex-3-enyl)thio]-4,7-dioxo-6-(phenylmethoxycarbonylamino)-2-[(phenylmethyl)amino]heptanoic acid IUPAC Name: 2-(benzylamino)-7-methoxy-5-(1-methylcyclohex-3-en-1-yl)sulfanyl-4,7-dioxo-6-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: 2-(benzylamino)-6-(benzyloxycarbonylamino)-4,7-diketo-7-methoxy-5-[(1-methylcyclohex-3-en-1-yl)thio]enanthic acid Formula: C30H36N2O7S MolecularWeight: 568.68104

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC=CC1)SC(C(C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)CC(C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CC1(CCC=CC1)SC(C(C(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)CC(C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O7S/c1-30(16-10-5-11-17-30)40-26(24(33)18-23(27(34)35)31-19-21-12-6-3-7-13-21)25(28(36)38-2)32-29(37)39-20-22-14-8-4-9-15-22/h3-10,12-15,23,25-26,31H,11,16-20H2,1-2H3,(H,32,37)(H,34,35)