2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(phenylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-benzyl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-benzylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-benzyl-amino]acetic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C15H19NO4S/c1-11(10-21-12(2)17)15(20)16(9-14(18)19)8-13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,18,19)