(2R)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2R)-2-acetamido-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(2R)-2-acetamido-3-phenyl-propanoyl]amino]-4-(methylthio)butyrate Formula: C16H21N2O4S- MolecularWeight: 337.41394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H22N2O4S/c1-11(19)17-14(10-12-6-4-3-5-7-12)15(20)18-13(16(21)22)8-9-23-2/h3-7,13-14H,8-10H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/p-1/t13-,14-/m1/s1