(4S)-4-[(5-cyclobutyloxy-1-phenyl-pyrazol-3-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[(5-cyclobutyloxy-1-phenyl-pyrazol-3-yl)carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[5-(cyclobutoxy)-1-phenyl-pyrazole-3-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(5-cyclobutyloxy-1-phenyl-3-pyrazolyl)-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (4S)-4-[(5-cyclobutyloxy-1-phenylpyrazole-3-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[[5-(cyclobutoxy)-1-phenyl-pyrazole-3-carbonyl]amino]-5-keto-valeric acid Formula: C26H33N5O7 MolecularWeight: 527.56952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NN(C(=C2)OC3CCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=NN(C(=C2)OC3CCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O7/c1-2-37-26(36)30-15-13-29(14-16-30)25(35)20(11-12-23(32)33)27-24(34)21-17-22(38-19-9-6-10-19)31(28-21)18-7-4-3-5-8-18/h3-5,7-8,17,19-20H,2,6,9-16H2,1H3,(H,27,34)(H,32,33)/t20-/m0/s1