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

Systemtic Name: 2-phenylazanyl-4-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-anilino-4-[(2-benzyl-3-sulfanyl-propanoyl)amino]pentanedioic acid CAS Name: 2-anilino-4-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]pentanedioic acid IUPAC Name: 2-anilino-4-[(2-benzyl-3-sulfanylpropanoyl)amino]pentanedioic acid Traditional Name: 2-anilino-4-[(2-benzyl-3-mercapto-propanoyl)amino]glutaric acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c24-19(15(13-29)11-14-7-3-1-4-8-14)23-18(21(27)28)12-17(20(25)26)22-16-9-5-2-6-10-16/h1-10,15,17-18,22,29H,11-13H2,(H,23,24)(H,25,26)(H,27,28)