BETA-ALANINE, N-[[2-[[[4-(2,5-DIHYDRO-5-OXO-1,2,4-OXADIAZOL-3-YL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]CARBONYL]-N-2-PYRIDINYL-, ETHYL ESTER

CAS No.
872728-84-2
CCD No.
CCD02755461
Formula
C28 H29 N7 O4
MolWeight
527.582

Basic Information

Product Name: BETA-ALANINE, N-[[2-[[[4-(2,5-DIHYDRO-5-OXO-1,2,4-OXADIAZOL-3-YL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]CARBONYL]-N-2-PYRIDINYL-, ETHYL ESTER
CAS: 872728-84-2
English Synonyms: ETHYL 3-(1-METHYL-2-(((4-(5-OXO-4,5-DIHYDRO-1,2,4-OXADIAZOL-3-YL)PHENYL)AMINO)METHYL)-N-(PYRIDIN-2-YL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDO)PROPANOATE ; BETA-ALANINE, N-[[2-[[[4-(2,5-DIHYDRO-5-OXO-1,2,4-OXADIAZOL-3-YL)PHENYL]AMINO]METHYL]-1-METHYL-1H-BENZIMIDAZOL-5-YL]CARBONYL]-N-2-PYRIDINYL-, ETHYL ESTER
MDL Number.: MFCD16294326
H bond acceptor: 11
H bond donor: 2
Smile: CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C5=NCON5
InChi: InChI=1S/C28H29N7O4/c1-3-38-26(36)13-15-35(24-6-4-5-14-29-24)28(37)20-9-12-23-22(16-20)32-25(34(23)2)17-30-21-10-7-19(8-11-21)27-31-18-39-33-27/h4-12,14,16,30H,3,13,15,17-18H2,1-2H3,(H,31,33)
InChiKey: InChIKey=WIFMKXCRBAPPFK-UHFFFAOYSA-N

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