2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]methylsulfanylcarbamoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]methylsulfanylcarbamoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[4-(dimethylamino)-4-phenyl-cyclohexyl]methylsulfanylcarbamoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[[[[4-(dimethylamino)-4-phenylcyclohexyl]methylthio]amino]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[4-(dimethylamino)-4-phenylcyclohexyl]methylsulfanylcarbamoylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[[4-(dimethylamino)-4-phenyl-cyclohexyl]methylthio]carbamoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C27H34N4O3S MolecularWeight: 494.64886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCC(CC1)CSNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1(CCC(CC1)CSNC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3S/c1-31(2)27(21-8-4-3-5-9-21)14-12-19(13-15-27)18-35-30-26(34)29-24(25(32)33)16-20-17-28-23-11-7-6-10-22(20)23/h3-11,17,19,24,28H,12-16,18H2,1-2H3,(H,32,33)(H2,29,30,34)