3-(2-methylbutanoylamino)-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: 3-(2-methylbutanoylamino)-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 5-benzylsulfanyl-3-(2-methylbutanoylamino)-4-oxo-pentanoic acid CAS Name: 3-[(2-methyl-1-oxobutyl)amino]-4-oxo-5-(phenylmethylthio)pentanoic acid IUPAC Name: 5-benzylsulfanyl-3-(2-methylbutanoylamino)-4-oxopentanoic acid Traditional Name: 5-(benzylthio)-4-keto-3-(2-methylbutanoylamino)valeric acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(=O)NC(CC(=O)O)C(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C17H23NO4S/c1-3-12(2)17(22)18-14(9-16(20)21)15(19)11-23-10-13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3,(H,18,22)(H,20,21)