2-[2-azanylethyl-[2-(3-azanyl-1-oxidanyl-3-oxidanylidene-2-sulfanyl-propyl)phenyl]amino]ethanoic acid

Systemtic Name: 2-[2-azanylethyl-[2-(3-azanyl-1-oxidanyl-3-oxidanylidene-2-sulfanyl-propyl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(2-aminoethyl)-2-(3-amino-1-hydroxy-3-oxo-2-sulfanyl-propyl)anilino]acetic acid CAS Name: 2-[N-(2-aminoethyl)-2-(3-amino-1-hydroxy-2-mercapto-3-oxopropyl)anilino]acetic acid IUPAC Name: 2-[N-(2-aminoethyl)-2-(3-amino-1-hydroxy-3-oxo-2-sulfanylpropyl)anilino]acetic acid Traditional Name: 2-[N-(2-aminoethyl)-2-(3-amino-1-hydroxy-3-keto-2-mercapto-propyl)anilino]acetic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(C(=O)N)S)O)N(CCN)CC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(C(C(=O)N)S)O)N(CCN)CC(=O)O

InChI

InChI=1S/C13H19N3O4S/c14-5-6-16(7-10(17)18)9-4-2-1-3-8(9)11(19)12(21)13(15)20/h1-4,11-12,19,21H,5-7,14H2,(H2,15,20)(H,17,18)