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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(2-fluorophenyl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(2-fluorophenyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[6-(2-fluorophenyl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(2-fluorophenyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[[6-(2-fluorophenyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-keto-valeric acid Formula: C29H30FN5O6 MolecularWeight: 563.576803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC(=NC(=C2)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=NC(=NC(=C2)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C29H30FN5O6/c1-2-41-29(40)35-16-14-34(15-17-35)28(39)22(12-13-25(36)37)33-27(38)24-18-23(20-10-6-7-11-21(20)30)31-26(32-24)19-8-4-3-5-9-19/h3-11,18,22H,2,12-17H2,1H3,(H,33,38)(H,36,37)/t22-/m0/s1