3-[[3-(cyclohexylcarbonylamino)-4-(2,5-dimethyl-4-pyridin-3-ylcarbonyl-piperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-(cyclohexylcarbonylamino)-4-(2,5-dimethyl-4-pyridin-3-ylcarbonyl-piperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclohexanecarbonylamino)-4-[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclohexyl(oxo)methyl]amino]-4-[2,5-dimethyl-4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(cyclohexanecarbonylamino)-4-[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(cyclohexanecarbonylamino)-4-(2,5-dimethyl-4-nicotinoyl-piperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C33H39N5O5S MolecularWeight: 617.75826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C2=CN=CC=C2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5CCCCC5

Isomeric SMILES

CC1CN(C(CN1C(=O)C2=CN=CC=C2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5CCCCC5

InChI

InChI=1S/C33H39N5O5S/c1-21-20-38(33(43)25-10-6-14-34-18-25)22(2)19-37(21)28-13-12-24(16-26(28)35-31(41)23-8-4-3-5-9-23)32(42)36-27(17-30(39)40)29-11-7-15-44-29/h6-7,10-16,18,21-23,27H,3-5,8-9,17,19-20H2,1-2H3,(H,35,41)(H,36,42)(H,39,40)