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

Systemtic Name: 1-[(2S,3R)-3-methyl-2-[[(2S)-2-phenyl-2-sulfanyl-ethanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2S,3R)-3-methyl-2-[[(2S)-2-phenyl-2-sulfanyl-acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2S,3R)-2-[[(2S)-2-mercapto-1-oxo-2-phenylethyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2S,3R)-3-methyl-2-[[(2S)-2-phenyl-2-sulfanylacetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2S,3R)-2-[[(2S)-2-mercapto-2-phenyl-acetyl]amino]-3-methyl-pentanoyl]proline Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S/c1-3-12(2)15(18(23)21-11-7-10-14(21)19(24)25)20-17(22)16(26)13-8-5-4-6-9-13/h4-6,8-9,12,14-16,26H,3,7,10-11H2,1-2H3,(H,20,22)(H,24,25)/t12-,14?,15+,16+/m1/s1