3-[[3-(cyclopropylcarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclopropanecarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(cyclopropanecarbonylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H29N5O6 MolecularWeight: 495.52766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4CC4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C25H29N5O6/c1-36-25(35)30-11-9-29(10-12-30)21-7-6-17(13-20(21)28-23(33)16-4-5-16)24(34)27-19(14-22(31)32)18-3-2-8-26-15-18/h2-3,6-8,13,15-16,19H,4-5,9-12,14H2,1H3,(H,27,34)(H,28,33)(H,31,32)