2-[[6-cyclohexyl-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[6-cyclohexyl-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[5-(4-benzyloxyphenyl)-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[6-cyclohexyl-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-2-yl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[6-cyclohexyl-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[5-(4-benzoxyphenyl)-6-cyclohexyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-hydroxy-propionic acid Formula: C29H30N4O6 MolecularWeight: 530.5717

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)NC(CO)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)NC(CO)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O6/c34-16-23(29(37)38)30-27(35)22-15-24-31-26(25(28(36)33(24)32-22)19-9-5-2-6-10-19)20-11-13-21(14-12-20)39-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-15,19,23,32,34H,2,5-6,9-10,16-17H2,(H,30,35)(H,37,38)