4-methylsulfanyl-2-[[2-phenyl-4-(piperidin-3-ylcarbonylamino)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-(piperidin-3-ylcarbonylamino)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-(piperidine-3-carbonylamino)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[oxo(3-piperidinyl)methyl]amino]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-(piperidine-3-carbonylamino)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[4-(nipecotoylamino)-2-phenyl-benzoyl]amino]butyric acid Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2CCCNC2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)NC(=O)C2CCCNC2)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4S/c1-32-13-11-21(24(30)31)27-23(29)19-10-9-18(14-20(19)16-6-3-2-4-7-16)26-22(28)17-8-5-12-25-15-17/h2-4,6-7,9-10,14,17,21,25H,5,8,11-13,15H2,1H3,(H,26,28)(H,27,29)(H,30,31)