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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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