3-[4-azanyl-2-(2-azanyl-3-sulfanyl-propanoyl)phenyl]benzoic acid

Systemtic Name: 3-[4-azanyl-2-(2-azanyl-3-sulfanyl-propanoyl)phenyl]benzoic acid Openeye Name: 3-[4-amino-2-(2-amino-3-sulfanyl-propanoyl)phenyl]benzoic acid CAS Name: 3-[4-amino-2-(2-amino-3-mercapto-1-oxopropyl)phenyl]benzoic acid IUPAC Name: 3-[4-amino-2-(2-amino-3-sulfanylpropanoyl)phenyl]benzoic acid Traditional Name: 3-[4-amino-2-(2-amino-3-mercapto-propanoyl)phenyl]benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=C(C=C(C=C2)N)C(=O)C(CS)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=C(C=C(C=C2)N)C(=O)C(CS)N

InChI

InChI=1S/C16H16N2O3S/c17-11-4-5-12(13(7-11)15(19)14(18)8-22)9-2-1-3-10(6-9)16(20)21/h1-7,14,22H,8,17-18H2,(H,20,21)