1-[(2S,3R)-3-methyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2S,3R)-3-methyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2S,3R)-3-methyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2S,3R)-2-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2S,3R)-3-methyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2S,3R)-2-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-3-methyl-pentanoyl]proline Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N1CCCC1C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S

InChI

InChI=1S/C20H28N2O4S/c1-3-13(2)17(19(24)22-11-7-10-15(22)20(25)26)21-18(23)16(27)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17,27H,3,7,10-12H2,1-2H3,(H,21,23)(H,25,26)/t13-,15?,16+,17+/m1/s1