(2S)-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: (2S)-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]propanoic acid CAS Name: (2S)-2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: (2S)-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

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