2-[azanyl-[(2R,3R)-3-oxidanyl-4-oxidanylidene-4-phenylmethoxy-2-sulfanyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[azanyl-[(2R,3R)-3-oxidanyl-4-oxidanylidene-4-phenylmethoxy-2-sulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[amino-[(2R,3R)-4-benzyloxy-3-hydroxy-4-oxo-2-sulfanyl-butanoyl]amino]acetic acid CAS Name: 2-[amino-[(2R,3R)-3-hydroxy-2-mercapto-1,4-dioxo-4-phenylmethoxybutyl]amino]acetic acid IUPAC Name: 2-[amino-[(2R,3R)-3-hydroxy-4-oxo-4-phenylmethoxy-2-sulfanylbutanoyl]amino]acetic acid Traditional Name: 2-[amino-[(2R,3R)-4-benzoxy-3-hydroxy-4-keto-2-mercapto-butanoyl]amino]acetic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(C(=O)N(CC(=O)O)N)S)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H]([C@H](C(=O)N(CC(=O)O)N)S)O

InChI

InChI=1S/C13H16N2O6S/c14-15(6-9(16)17)12(19)11(22)10(18)13(20)21-7-8-4-2-1-3-5-8/h1-5,10-11,18,22H,6-7,14H2,(H,16,17)/t10-,11+/m0/s1