3-naphthalen-2-yl-2-[[2-[(2-nitrophenyl)sulfonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid

Systemtic Name: 3-naphthalen-2-yl-2-[[2-[(2-nitrophenyl)sulfonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Openeye Name: 2-[[5-(benzyloxycarbonylamino)-2-[(2-nitrophenyl)sulfonylamino]pentanoyl]amino]-3-(2-naphthyl)propanoic acid CAS Name: 3-(2-naphthalenyl)-2-[[2-[(2-nitrophenyl)sulfonylamino]-1-oxo-5-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid IUPAC Name: 3-naphthalen-2-yl-2-[[2-[(2-nitrophenyl)sulfonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid Traditional Name: 2-[[5-(benzyloxycarbonylamino)-2-[(2-nitrophenyl)sulfonylamino]pentanoyl]amino]-3-(2-naphthyl)propionic acid Formula: C32H32N4O9S MolecularWeight: 648.68288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C32H32N4O9S/c37-30(34-27(31(38)39)20-23-16-17-24-11-4-5-12-25(24)19-23)26(35-46(43,44)29-15-7-6-14-28(29)36(41)42)13-8-18-33-32(40)45-21-22-9-2-1-3-10-22/h1-7,9-12,14-17,19,26-27,35H,8,13,18,20-21H2,(H,33,40)(H,34,37)(H,38,39)