3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-oxidanylidene-2-(phenylmethoxycarbonylaminomethyl)propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-oxidanylidene-2-(phenylmethoxycarbonylaminomethyl)propanoic acid Openeye Name: 2-(benzyloxycarbonylaminomethyl)-3-oxo-3-[1-(p-tolylsulfonyl)pyrrolidin-2-yl]propanoic acid CAS Name: 3-[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-3-oxo-2-(phenylmethoxycarbonylaminomethyl)propanoic acid IUPAC Name: 3-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-oxo-2-(phenylmethoxycarbonylaminomethyl)propanoic acid Traditional Name: 2-(benzyloxycarbonylaminomethyl)-3-keto-3-(1-tosylpyrrolidin-2-yl)propionic acid Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)C(CNC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)C(CNC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N2O7S/c1-16-9-11-18(12-10-16)33(30,31)25-13-5-8-20(25)21(26)19(22(27)28)14-24-23(29)32-15-17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,24,29)(H,27,28)