2-[2-[2-[2-[6-(BIOTINYLAMINOHEXANOYL]AMINOETHOXY]ETHOXY]ETHOXY]-4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]BENZOIC ACID

CAS No.
207971-23-1
CCD No.
CCD00582449
Formula
C31 H43 F3 N6 O8 S
MolWeight
716.775

Basic Information

Product Name: 2-[2-[2-[2-[6-(BIOTINYLAMINOHEXANOYL]AMINOETHOXY]ETHOXY]ETHOXY]-4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]BENZOIC ACID
CAS: 207971-23-1
English Synonyms: 2-[2-[2-[2-[6-(BIOTINYLAMINOHEXANOYL]AMINOETHOXY]ETHOXY]ETHOXY]-4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]BENZOIC ACID ; 2-[[21-[(3AS,4S,6AR)-HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]-10,17-DIOXO-3,6-DIOXA-9,16-DIAZAHENEICOS-1-YL]OXY]-4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-BENZOIC ACID
MDL Number.: MFCD07369145
H bond acceptor: 14
H bond donor: 5
Smile: c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)O
InChi: InChI=1S/C31H43F3N6O8S/c32-31(33,34)30(39-40-30)20-9-10-21(28(43)44)23(18-20)48-17-16-47-15-14-46-13-12-36-26(42)7-2-1-5-11-35-25(41)8-4-3-6-24-27-22(19-49-24)37-29(45)38-27/h9-10,18,22,24,27H,1-8,11-17,19H2,(H,35,41)(H,36,42)(H,43,44)(H2,37,38,45)/t22-,24-,27-/m0/s1
InChiKey: InChIKey=NQAZCDBRNFZKCC-DPPGTGKWSA-N

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