3-[[3-(cyclobutylcarbonylamino)-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(cyclobutylcarbonylamino)-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclobutanecarbonylamino)-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclobutyl(oxo)methyl]amino]-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclobutanecarbonylamino)-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxy-1,4-diazepan-1-yl)-3-(cyclobutanecarbonylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C27H33N5O6 MolecularWeight: 523.58082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4CCC4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4CCC4

InChI

InChI=1S/C27H33N5O6/c1-38-27(37)32-12-4-11-31(13-14-32)23-9-8-19(15-22(23)30-25(35)18-5-2-6-18)26(36)29-21(16-24(33)34)20-7-3-10-28-17-20/h3,7-10,15,17-18,21H,2,4-6,11-14,16H2,1H3,(H,29,36)(H,30,35)(H,33,34)