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

Systemtic Name: 2-phenylazanyl-3-[[2-(phenylmethyl)-3-pyridin-3-ylcarbonylsulfanyl-propanoyl]amino]butanedioic acid Openeye Name: 2-anilino-3-[[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]amino]butanedioic acid CAS Name: 2-anilino-3-[[1-oxo-2-[[[oxo(3-pyridinyl)methyl]thio]methyl]-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-anilino-3-[[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]amino]butanedioic acid Traditional Name: 2-anilino-3-[[2-benzyl-3-(nicotinoylthio)propanoyl]amino]succinic acid Formula: C26H25N3O6S MolecularWeight: 507.5582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CN=CC=C2)C(=O)NC(C(C(=O)O)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CN=CC=C2)C(=O)NC(C(C(=O)O)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H25N3O6S/c30-23(29-22(25(33)34)21(24(31)32)28-20-11-5-2-6-12-20)19(14-17-8-3-1-4-9-17)16-36-26(35)18-10-7-13-27-15-18/h1-13,15,19,21-22,28H,14,16H2,(H,29,30)(H,31,32)(H,33,34)