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

Systemtic Name: 2-[2-azanylethyl-[2-(3-azanyl-3-oxidanylidene-2-sulfanyl-propyl)phenyl]amino]ethanoic acid Openeye Name: 2-[N-(2-aminoethyl)-2-(3-amino-3-oxo-2-sulfanyl-propyl)anilino]acetic acid CAS Name: 2-[N-(2-aminoethyl)-2-(3-amino-2-mercapto-3-oxopropyl)anilino]acetic acid IUPAC Name: 2-[N-(2-aminoethyl)-2-(3-amino-3-oxo-2-sulfanylpropyl)anilino]acetic acid Traditional Name: 2-[N-(2-aminoethyl)-2-(3-amino-3-keto-2-mercapto-propyl)anilino]acetic acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c14-5-6-16(8-12(17)18)10-4-2-1-3-9(10)7-11(20)13(15)19/h1-4,11,20H,5-8,14H2,(H2,15,19)(H,17,18)