5-(5-methyl-2-nitro-phenyl)sulfanyloxy-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(5-methyl-2-nitro-phenyl)sulfanyloxy-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-(5-methyl-2-nitro-phenyl)sulfanyloxy-pentanoic acid CAS Name: 5-[(5-methyl-2-nitrophenyl)thio]oxy-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(5-methyl-2-nitrophenyl)sulfanyloxy-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-[(5-methyl-2-nitro-phenyl)thio]oxy-valeric acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])SOCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O7S/c1-14-9-10-17(22(26)27)18(12-14)30-29-11-5-8-16(19(23)24)21-20(25)28-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,25)(H,23,24)