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

Systemtic Name: 2-phenylazanyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanedioic acid Openeye Name: 2-anilino-2-[(2-benzyl-3-sulfanyl-propanoyl)amino]butanedioic acid CAS Name: 2-anilino-2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-anilino-2-[(2-benzyl-3-sulfanylpropanoyl)amino]butanedioic acid Traditional Name: 2-anilino-2-[(2-benzyl-3-mercapto-propanoyl)amino]succinic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c23-17(24)12-20(19(26)27,21-16-9-5-2-6-10-16)22-18(25)15(13-28)11-14-7-3-1-4-8-14/h1-10,15,21,28H,11-13H2,(H,22,25)(H,23,24)(H,26,27)