Nombre: (S)-2-[5-(2-{4-[2-((S)-1-Benzyloxycarbonyl-pyrrolidin-2-yl)-3H-imidazol-4-yl]-phenyl}-pyrimidin-5-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC: benzyl (2S)-2-[5-[4-[5-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2cnc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OCc5ccccc5)[nH]4)cc3)nc2)[nH]1Canonical SMILES:
CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)C3=CN=C(N=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)OCC7=CC=CC=C7Fórmula molecular: C37H40N8O4
Masa molecular: 660.80
InChIKey: HGBQRLWEWMJDAB-CONSDPRKSA-N
InChI:
PubChem CID: 24950959 →InChI=1S/C37H40N8O4/c1-37(2,3)49-36(47)45-18-8-12-31(45)34-41-22-29(43-34)27-19-38-32(39-20-27)26-15-13-25(14-16-26)28-21-40-33(42-28)30-11-7-17-44(30)35(46)48-23-24-9-5-4-6-10-24/h4-6,9-10,13-16,19-22,30-31H,7-8,11-12,17-18,23H2,1-3H3,(H,40,42)(H,41,43)/t30-,31-/m0/s1Sinónimos
SCHEMBL691476SCHEMBL16105775HGBQRLWEWMJDAB-CONSDPRKSA-N(S)-2-[5-(2-{4-[2-((S)-1-Benzyloxycarbonyl-pyrrolidin-2-yl)-3H-imidazol-4-yl]-phenyl}-pyrimidin-5-yl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
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