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

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(phenylcarbamoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(phenylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[anilino(oxo)methyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(phenylcarbamoylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(phenylcarbamoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H30N6O6 MolecularWeight: 546.5744

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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

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

InChI

InChI=1S/C28H30N6O6/c1-40-28(39)34-14-12-33(13-15-34)24-10-9-19(16-23(24)32-27(38)30-21-7-3-2-4-8-21)26(37)31-22(17-25(35)36)20-6-5-11-29-18-20/h2-11,16,18,22H,12-15,17H2,1H3,(H,31,37)(H,35,36)(H2,30,32,38)