3-[[3-(cyclohexylcarbonylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-(cyclohexylcarbonylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclohexyl(oxo)methyl]amino]-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C30H39N5O6S MolecularWeight: 597.72556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C30H39N5O6S/c36-27(37)20-24(26-7-4-18-42-26)32-29(39)22-8-9-25(23(19-22)31-28(38)21-5-2-1-3-6-21)33-10-12-34(13-11-33)30(40)35-14-16-41-17-15-35/h4,7-9,18-19,21,24H,1-3,5-6,10-17,20H2,(H,31,38)(H,32,39)(H,36,37)