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

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-(4-methoxycarbonyl-1,4-diazepan-1-yl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclopropanecarbonylamino)-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-(cyclopropanecarbonylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H31N5O6 MolecularWeight: 509.55424

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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)C4CC4

Isomeric SMILES

COC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C26H31N5O6/c1-37-26(36)31-11-3-10-30(12-13-31)22-8-7-18(14-21(22)29-24(34)17-5-6-17)25(35)28-20(15-23(32)33)19-4-2-9-27-16-19/h2,4,7-9,14,16-17,20H,3,5-6,10-13,15H2,1H3,(H,28,35)(H,29,34)(H,32,33)