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

Systemtic Name: 2-azanyl-3-[2-[(2S)-2-azanyl-3-sulfanyl-propanoyl]-4,5-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[2-[(2S)-2-amino-3-sulfanyl-propanoyl]-4,5-dihydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[2-[(2S)-2-amino-3-mercapto-1-oxopropyl]-4,5-dihydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[2-[(2S)-2-amino-3-sulfanylpropanoyl]-4,5-dihydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[2-[(2S)-2-amino-3-mercapto-propanoyl]-4,5-dihydroxy-phenyl]propionic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S/c13-7(12(18)19)1-5-2-9(15)10(16)3-6(5)11(17)8(14)4-20/h2-3,7-8,15-16,20H,1,4,13-14H2,(H,18,19)/t7?,8-/m1/s1