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

Systemtic Name: 2-phenylazanyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanedioic acid Openeye Name: 2-anilino-3-[(2-benzyl-3-sulfanyl-propanoyl)amino]butanedioic acid CAS Name: 2-anilino-3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-anilino-3-[(2-benzyl-3-sulfanylpropanoyl)amino]butanedioic acid Traditional Name: 2-anilino-3-[(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(C(C(=O)O)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

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