2-[3-[(2S)-2-azanyl-3-sulfanyl-propanoyl]-4,5-bis(oxidanyl)phenyl]ethanoic acid

Systemtic Name: 2-[3-[(2S)-2-azanyl-3-sulfanyl-propanoyl]-4,5-bis(oxidanyl)phenyl]ethanoic acid Openeye Name: 2-[3-[(2S)-2-amino-3-sulfanyl-propanoyl]-4,5-dihydroxy-phenyl]acetic acid CAS Name: 2-[3-[(2S)-2-amino-3-mercapto-1-oxopropyl]-4,5-dihydroxyphenyl]acetic acid IUPAC Name: 2-[3-[(2S)-2-amino-3-sulfanylpropanoyl]-4,5-dihydroxyphenyl]acetic acid Traditional Name: 2-[3-[(2S)-2-amino-3-mercapto-propanoyl]-4,5-dihydroxy-phenyl]acetic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)C(=O)C(CS)N)CC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1O)O)C(=O)[C@@H](CS)N)CC(=O)O

InChI

InChI=1S/C11H13NO5S/c12-7(4-18)10(16)6-1-5(3-9(14)15)2-8(13)11(6)17/h1-2,7,13,17-18H,3-4,12H2,(H,14,15)/t7-/m1/s1