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

Systemtic Name: 3-chloranyl-2-[methyl-(phenylmethyl)carbamoyl]-4-(phenylmethyl)-2-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 4-benzyl-2-[benzyl(methyl)carbamoyl]-3-chloro-2-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 3-chloro-2-mercapto-2-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-(phenylmethyl)-1-pyrrolidinecarboxylic acid IUPAC Name: 4-benzyl-2-[benzyl(methyl)carbamoyl]-3-chloro-2-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 4-benzyl-2-[benzyl(methyl)carbamoyl]-3-chloro-2-mercapto-pyrrolidine-1-carboxylic acid Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2(C(C(CN2C(=O)O)CC3=CC=CC=C3)Cl)S

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2(C(C(CN2C(=O)O)CC3=CC=CC=C3)Cl)S

InChI

InChI=1S/C21H23ClN2O3S/c1-23(13-16-10-6-3-7-11-16)19(25)21(28)18(22)17(14-24(21)20(26)27)12-15-8-4-2-5-9-15/h2-11,17-18,28H,12-14H2,1H3,(H,26,27)