(2S)-2-azanyl-3-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[2-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-3,4-dihydroxy-phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[2-[(2-amino-3-hydroxy-3-oxopropyl)thio]-3,4-dihydroxyphenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[2-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-3,4-dihydroxyphenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[2-[(2-amino-3-hydroxy-3-keto-propyl)thio]-3,4-dihydroxy-phenyl]propionic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CC(C(=O)O)N)SCC(C(=O)O)N)O)O

Isomeric SMILES

C1=CC(=C(C(=C1C[C@@H](C(=O)O)N)SCC(C(=O)O)N)O)O

InChI

InChI=1S/C12H16N2O6S/c13-6(11(17)18)3-5-1-2-8(15)9(16)10(5)21-4-7(14)12(19)20/h1-2,6-7,15-16H,3-4,13-14H2,(H,17,18)(H,19,20)/t6-,7?/m0/s1