3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(2-phenylethanoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(2-phenylethanoylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-[(1-oxo-2-phenylethyl)amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H31N5O6 MolecularWeight: 545.58634

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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)CC4=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)CC4=CC=CC=C4

InChI

InChI=1S/C29H31N5O6/c1-40-29(39)34-14-12-33(13-15-34)25-10-9-21(17-24(25)31-26(35)16-20-6-3-2-4-7-20)28(38)32-23(18-27(36)37)22-8-5-11-30-19-22/h2-11,17,19,23H,12-16,18H2,1H3,(H,31,35)(H,32,38)(H,36,37)