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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C(=C1CC(C(=O)O)N)C(=O)[C@@H](CS)N)O)O

InChI

InChI=1S/C12H16N2O5S/c13-6(12(18)19)3-5-1-2-8(15)11(17)9(5)10(16)7(14)4-20/h1-2,6-7,15,17,20H,3-4,13-14H2,(H,18,19)/t6?,7-/m1/s1