(2S)-4-methylsulfanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-4-(methylthio)butyrate Formula: C16H21N2O5S- MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-11(14(19)18-13(15(20)21)8-9-24-2)17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)/p-1/t11-,13-/m0/s1