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

Systemtic Name: (2R)-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]oxypropanoic acid Openeye Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]oxypropanoic acid CAS Name: (2R)-2-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]oxypropanoic acid IUPAC Name: (2R)-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]oxypropanoic acid Traditional Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]oxypropionic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-11(15(20)21)24-18-14(19)13(8-9-25-2)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)/t11-,13+/m1/s1