(2R)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[2-(benzyloxycarbonylamino)propanoylamino]-3-sulfanyl-propanoic acid CAS Name: (2R)-3-mercapto-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid IUPAC Name: (2R)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[2-(benzyloxycarbonylamino)propanoylamino]-3-mercapto-propionic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5S/c1-9(12(17)16-11(8-22)13(18)19)15-14(20)21-7-10-5-3-2-4-6-10/h2-6,9,11,22H,7-8H2,1H3,(H,15,20)(H,16,17)(H,18,19)/t9?,11-/m0/s1