3-[[3-(cyclobutylcarbonylamino)-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(cyclobutylcarbonylamino)-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclobutyl(oxo)methyl]amino]-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H33N5O5 MolecularWeight: 519.59212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5CC5

Isomeric SMILES

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C28H33N5O5/c34-25(35)16-22(21-5-2-10-29-17-21)30-27(37)20-8-9-24(23(15-20)31-26(36)18-3-1-4-18)32-11-13-33(14-12-32)28(38)19-6-7-19/h2,5,8-10,15,17-19,22H,1,3-4,6-7,11-14,16H2,(H,30,37)(H,31,36)(H,34,35)