2-[[2-(phenylmethyl)-3-sulfanyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-butanoyl)amino]acetic acid CAS Name: 2-[[3-mercapto-1-oxo-2-(phenylmethyl)butyl]amino]acetic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylbutanoyl)amino]acetic acid Traditional Name: 2-[(2-benzyl-3-mercapto-butanoyl)amino]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)S

Isomeric SMILES

CC(C(CC1=CC=CC=C1)C(=O)NCC(=O)O)S

InChI

InChI=1S/C13H17NO3S/c1-9(18)11(13(17)14-8-12(15)16)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)