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

Systemtic Name: 3-[[3-(cyclohexylcarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(cyclohexanecarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[cyclohexyl(oxo)methyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(cyclohexanecarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(cyclohexanecarbonylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H35N5O6 MolecularWeight: 537.6074

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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)C4CCCCC4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C28H35N5O6/c1-39-28(38)33-14-12-32(13-15-33)24-10-9-20(16-23(24)31-26(36)19-6-3-2-4-7-19)27(37)30-22(17-25(34)35)21-8-5-11-29-18-21/h5,8-11,16,18-19,22H,2-4,6-7,12-15,17H2,1H3,(H,30,37)(H,31,36)(H,34,35)