1-[2-methyl-2-[[(2S)-4-phenyl-2-sulfanyl-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-methyl-2-[[(2S)-4-phenyl-2-sulfanyl-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-methyl-2-[[(2S)-4-phenyl-2-sulfanyl-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(2S)-2-mercapto-1-oxo-4-phenylbutyl]amino]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-methyl-2-[[(2S)-4-phenyl-2-sulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[(2S)-2-mercapto-4-phenyl-butanoyl]amino]-2-methyl-propanoyl]proline Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCC1C(=O)O)NC(=O)C(CCC2=CC=CC=C2)S

Isomeric SMILES

CC(C)(C(=O)N1CCCC1C(=O)O)NC(=O)[C@H](CCC2=CC=CC=C2)S

InChI

InChI=1S/C19H26N2O4S/c1-19(2,18(25)21-12-6-9-14(21)17(23)24)20-16(22)15(26)11-10-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,22)(H,23,24)/t14?,15-/m0/s1