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4-[carboxymethyl-[3-[carboxymethyl-(2-sulfanylphenyl)amino]propyl]amino]-3-sulfanyl-benzoic acid

4-[carboxymethyl-[3-[carboxymethyl-(2-sulfanylphenyl)amino]propyl]amino]-3-sulfanyl-benzoic acid

Systemtic Name:4-[carboxymethyl-[3-[carboxymethyl-(2-sulfanylphenyl)amino]propyl]amino]-3-sulfanyl-benzoic acid
Openeye Name:4-[carboxymethyl-[3-[N-(carboxymethyl)-2-sulfanyl-anilino]propyl]amino]-3-sulfanyl-benzoic acid
CAS Name:4-[carboxymethyl-[3-[N-(carboxymethyl)-2-mercaptoanilino]propyl]amino]-3-mercaptobenzoic acid
IUPAC Name:4-[carboxymethyl-[3-[N-(carboxymethyl)-2-sulfanylanilino]propyl]amino]-3-sulfanylbenzoic acid
Traditional Name:4-[carboxymethyl-[3-[N-(carboxymethyl)-2-mercapto-anilino]propyl]amino]-3-mercapto-benzoic acid
Formula: C20H22N2O6S2
MolecularWeight: 450.52848
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N(CCCN(CC(=O)O)C2=C(C=C(C=C2)C(=O)O)S)CC(=O)O)S


Isomeric SMILES

C1=CC=C(C(=C1)N(CCCN(CC(=O)O)C2=C(C=C(C=C2)C(=O)O)S)CC(=O)O)S


InChI

InChI=1S/C20H22N2O6S2/c23-18(24)11-21(14-4-1-2-5-16(14)29)8-3-9-22(12-19(25)26)15-7-6-13(20(27)28)10-17(15)30/h1-2,4-7,10,29-30H,3,8-9,11-12H2,(H,23,24)(H,25,26)(H,27,28)


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