3-chloranyl-2-[methyl-(phenylmethyl)carbamoyl]-4-propan-2-yl-2-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 3-chloranyl-2-[methyl-(phenylmethyl)carbamoyl]-4-propan-2-yl-2-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[benzyl(methyl)carbamoyl]-3-chloro-4-isopropyl-2-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 3-chloro-2-mercapto-2-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-propan-2-yl-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[benzyl(methyl)carbamoyl]-3-chloro-4-propan-2-yl-2-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 2-[benzyl(methyl)carbamoyl]-3-chloro-4-isopropyl-2-mercapto-pyrrolidine-1-carboxylic acid Formula: C17H23ClN2O3S MolecularWeight: 370.89412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(C(C1Cl)(C(=O)N(C)CC2=CC=CC=C2)S)C(=O)O

Isomeric SMILES

CC(C)C1CN(C(C1Cl)(C(=O)N(C)CC2=CC=CC=C2)S)C(=O)O

InChI

InChI=1S/C17H23ClN2O3S/c1-11(2)13-10-20(16(22)23)17(24,14(13)18)15(21)19(3)9-12-7-5-4-6-8-12/h4-8,11,13-14,24H,9-10H2,1-3H3,(H,22,23)