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

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(2,5-dimethyl-4-pyridin-3-ylcarbonyl-piperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(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-(cyclopropanecarbonylamino)-4-[2,5-dimethyl-4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(cyclopropanecarbonylamino)-4-(2,5-dimethyl-4-nicotinoyl-piperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C30H33N5O5S MolecularWeight: 575.67852

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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)C5CC5

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)C5CC5

InChI

InChI=1S/C30H33N5O5S/c1-18-17-35(30(40)22-5-3-11-31-15-22)19(2)16-34(18)25-10-9-21(13-23(25)32-28(38)20-7-8-20)29(39)33-24(14-27(36)37)26-6-4-12-41-26/h3-6,9-13,15,18-20,24H,7-8,14,16-17H2,1-2H3,(H,32,38)(H,33,39)(H,36,37)