(2S)-2-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-[methyl(phenylmethoxycarbonyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[benzyloxycarbonyl(methyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[methyl(phenylmethoxycarbonyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[carbobenzoxy(methyl)amino]acetyl]amino]-4-(methylthio)butyrate Formula: C16H21N2O5S- MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CCSC)C(=O)[O-])C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O5S/c1-18(16(22)23-11-12-6-4-3-5-7-12)10-14(19)17-13(15(20)21)8-9-24-2/h3-7,13H,8-11H2,1-2H3,(H,17,19)(H,20,21)/p-1/t13-/m0/s1