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

Systemtic Name: 3-[[3-[(3-chlorophenyl)carbamoylamino]-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[(3-chlorophenyl)carbamoylamino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[(3-chloroanilino)-oxomethyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(3-chlorophenyl)carbamoylamino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-[(3-chlorophenyl)carbamoylamino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H29ClN6O6 MolecularWeight: 581.01946

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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)NC4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H29ClN6O6/c1-41-28(40)35-12-10-34(11-13-35)24-8-7-18(14-23(24)33-27(39)31-21-6-2-5-20(29)15-21)26(38)32-22(16-25(36)37)19-4-3-9-30-17-19/h2-9,14-15,17,22H,10-13,16H2,1H3,(H,32,38)(H,36,37)(H2,31,33,39)