(2R)-2-[[(2R)-1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propanoic acid

Systemtic Name: (2R)-2-[[(2R)-1-ethoxy-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]propanoic acid Openeye Name: (2R)-2-[[(1R)-1-(benzylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]amino]propanoic acid CAS Name: (2R)-2-[[(2R)-1-ethoxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2R)-3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: (2R)-2-[[(1R)-1-[(benzylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(C)C(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CSCC1=CC=CC=C1)N[C@H](C)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-3-20-15(19)13(16-11(2)14(17)18)10-21-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13+/m1/s1