2-[[(2R)-2-azanyl-3-(2-oxidanyl-1-phenyl-ethyl)sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-azanyl-3-(2-oxidanyl-1-phenyl-ethyl)sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-amino-3-(2-hydroxy-1-phenyl-ethyl)sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-amino-3-[(2-hydroxy-1-phenylethyl)thio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-amino-3-(2-hydroxy-1-phenylethyl)sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-amino-3-[(2-hydroxy-1-phenyl-ethyl)thio]propanoyl]amino]acetic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)SCC(C(=O)NCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CO)SC[C@@H](C(=O)NCC(=O)O)N

InChI

InChI=1S/C13H18N2O4S/c14-10(13(19)15-6-12(17)18)8-20-11(7-16)9-4-2-1-3-5-9/h1-5,10-11,16H,6-8,14H2,(H,15,19)(H,17,18)/t10-,11?/m0/s1