(2S,4S)-4-benzamido-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-benzamido-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-benzamido-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-benzamido-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-benzamido-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-benzamido-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O4S/c1-10(9-23)15(20)18-8-12(7-13(18)16(21)22)17-14(19)11-5-3-2-4-6-11/h2-6,10,12-13,23H,7-9H2,1H3,(H,17,19)(H,21,22)/t10?,12-,13-/m0/s1