methyl 3-naphthalen-2-yl-2-[[2-[(2-nitrophenyl)sulfonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate

Systemtic Name: methyl 3-naphthalen-2-yl-2-[[2-[(2-nitrophenyl)sulfonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate Openeye Name: methyl 2-[[5-(benzyloxycarbonylamino)-2-[(2-nitrophenyl)sulfonylamino]pentanoyl]amino]-3-(2-naphthyl)propanoate CAS Name: 3-(2-naphthalenyl)-2-[[2-[(2-nitrophenyl)sulfonylamino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-naphthalen-2-yl-2-[[2-[(2-nitrophenyl)sulfonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate Traditional Name: 2-[[5-(benzyloxycarbonylamino)-2-[(2-nitrophenyl)sulfonylamino]pentanoyl]amino]-3-(2-naphthyl)propionic acid methyl ester Formula: C33H34N4O9S MolecularWeight: 662.70946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CCCNC(=O)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CCCNC(=O)OCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C33H34N4O9S/c1-45-32(39)28(21-24-17-18-25-12-5-6-13-26(25)20-24)35-31(38)27(36-47(43,44)30-16-8-7-15-29(30)37(41)42)14-9-19-34-33(40)46-22-23-10-3-2-4-11-23/h2-8,10-13,15-18,20,27-28,36H,9,14,19,21-22H2,1H3,(H,34,40)(H,35,38)