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

Systemtic Name: 3-[[3-(cyclohexylcarbonylamino)-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclohexyl(oxo)methyl]amino]-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(cyclohexanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C29H36N4O5S MolecularWeight: 552.68494

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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)C5CC5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C29H36N4O5S/c34-26(35)18-23(25-7-4-16-39-25)31-28(37)21-10-11-24(22(17-21)30-27(36)19-5-2-1-3-6-19)32-12-14-33(15-13-32)29(38)20-8-9-20/h4,7,10-11,16-17,19-20,23H,1-3,5-6,8-9,12-15,18H2,(H,30,36)(H,31,37)(H,34,35)