5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-[(3S)-1-methylpiperidin-3-yl]oxy-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-[(3S)-1-methylpiperidin-3-yl]oxy-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-[[(3S)-1-methyl-3-piperidyl]oxy]-2-phenyl-pyrimidine-4-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[6-[[(3S)-1-methyl-3-piperidinyl]oxy]-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-[(3S)-1-methylpiperidin-3-yl]oxy-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-5-keto-4-[[6-[[(3S)-1-methyl-3-piperidyl]oxy]-2-phenyl-pyrimidine-4-carbonyl]amino]valeric acid Formula: C29H38N6O7 MolecularWeight: 582.64802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4CCCN(C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)O[C@H]4CCCN(C4)C

InChI

InChI=1S/C29H38N6O7/c1-3-41-29(40)35-16-14-34(15-17-35)28(39)22(11-12-25(36)37)31-27(38)23-18-24(42-21-10-7-13-33(2)19-21)32-26(30-23)20-8-5-4-6-9-20/h4-6,8-9,18,21-22H,3,7,10-17,19H2,1-2H3,(H,31,38)(H,36,37)/t21-,22?/m0/s1