4-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]-4-(propan-2-ylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]-4-(propan-2-ylamino)butanoic acid Openeye Name: 2-(benzylsulfanylmethyl)-4-(isopropylamino)-4-oxo-butanoic acid CAS Name: 4-oxo-2-[(phenylmethylthio)methyl]-4-(propan-2-ylamino)butanoic acid IUPAC Name: 2-(benzylsulfanylmethyl)-4-oxo-4-(propan-2-ylamino)butanoic acid Traditional Name: 2-[(benzylthio)methyl]-4-(isopropylamino)-4-keto-butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-11(2)16-14(17)8-13(15(18)19)10-20-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)