2-[4-methyl-2-[(3-oxidanylidene-1-phenylmethoxycarbonyl-pyrrolidin-2-yl)carbonylamino]pentyl]sulfanylethanoic acid

Systemtic Name: 2-[4-methyl-2-[(3-oxidanylidene-1-phenylmethoxycarbonyl-pyrrolidin-2-yl)carbonylamino]pentyl]sulfanylethanoic acid Openeye Name: 2-[2-[(1-benzyloxycarbonyl-3-oxo-pyrrolidine-2-carbonyl)amino]-4-methyl-pentyl]sulfanylacetic acid CAS Name: 2-[[4-methyl-2-[[oxo-(3-oxo-1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]pentyl]thio]acetic acid IUPAC Name: 2-[4-methyl-2-[(3-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]pentyl]sulfanylacetic acid Traditional Name: 2-[[2-[(1-carbobenzoxy-3-keto-prolyl)amino]-4-methyl-pentyl]thio]acetic acid Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSCC(=O)O)NC(=O)C1C(=O)CCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CSCC(=O)O)NC(=O)C1C(=O)CCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O6S/c1-14(2)10-16(12-30-13-18(25)26)22-20(27)19-17(24)8-9-23(19)21(28)29-11-15-6-4-3-5-7-15/h3-7,14,16,19H,8-13H2,1-2H3,(H,22,27)(H,25,26)