(2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid; phenyl butanoate

Systemtic Name: (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid; phenyl butanoate Openeye Name: (2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]pyrrolidine-2-carboxylic acid; phenyl butanoate CAS Name: butanoic acid phenyl ester; (2S)-1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid; phenyl butanoate Traditional Name: butyric acid phenyl ester; (2S)-1-[(2S)-3-mercapto-2-methyl-propanoyl]proline Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC=C1.CC(CS)C(=O)N1CCCC1C(=O)O

Isomeric SMILES

CCCC(=O)OC1=CC=CC=C1.C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O

InChI

InChI=1S/C10H12O2.C9H15NO3S/c1-2-6-10(11)12-9-7-4-3-5-8-9;1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h3-5,7-8H,2,6H2,1H3;6-7,14H,2-5H2,1H3,(H,12,13)/t;6-,7+/m.1/s1