2-[(4-iodophenyl)amino]-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[(4-iodophenyl)amino]-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-(4-iodoanilino)pentanedioic acid CAS Name: 2-(4-iodoanilino)-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-(4-iodoanilino)pentanedioic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-2-(4-iodoanilino)glutaric acid Formula: C21H23IN2O5S MolecularWeight: 542.38719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC(CCC(=O)O)(C(=O)O)NC2=CC=C(C=C2)I

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC(CCC(=O)O)(C(=O)O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C21H23IN2O5S/c22-16-6-8-17(9-7-16)23-21(20(28)29,11-10-18(25)26)24-19(27)15(13-30)12-14-4-2-1-3-5-14/h1-9,15,23,30H,10-13H2,(H,24,27)(H,25,26)(H,28,29)