3-oxidanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-hydroxybutanoic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-3-hydroxy-butyric acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS)O

InChI

InChI=1S/C14H19NO4S/c1-9(16)12(14(18)19)15-13(17)11(8-20)7-10-5-3-2-4-6-10/h2-6,9,11-12,16,20H,7-8H2,1H3,(H,15,17)(H,18,19)