13-OXA-2,5,11-TRIAZAPENTADECANOIC ACID, 3-[(3,5-DIBROMO-4-HYDROXYPHENYL)METHYL]-14,14-DIMETHYL-4,12-DIOXO-6-[[4-(4-PYRIDINYL)-1-PIPERAZINYL]CARBONYL]-, 9H-FLUOREN-9-YLMETHYL ESTER, [R-(R*,S*)]-

CAS No.
204693-24-3
CCD No.
CCD08275564
Formula
C44 H50 Br2 N6 O7
MolWeight
934.722

Basic Information

Product Name: 13-OXA-2,5,11-TRIAZAPENTADECANOIC ACID, 3-[(3,5-DIBROMO-4-HYDROXYPHENYL)METHYL]-14,14-DIMETHYL-4,12-DIOXO-6-[[4-(4-PYRIDINYL)-1-PIPERAZINYL]CARBONYL]-, 9H-FLUOREN-9-YLMETHYL ESTER, [R-(R*,S*)]-
CAS: 204693-24-3
English Synonyms: 13-OXA-2,5,11-TRIAZAPENTADECANOIC ACID, 3-[(3,5-DIBROMO-4-HYDROXYPHENYL)METHYL]-14,14-DIMETHYL-4,12-DIOXO-6-[[4-(4-PYRIDINYL)-1-PIPERAZINYL]CARBONYL]-, 9H-FLUOREN-9-YLMETHYL ESTER, [R-(R*,S*)]-
MDL Number.: MFCD23160062
H bond acceptor: 13
H bond donor: 4
Smile: CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N1CCN(CC1)c2ccncc2)NC(=O)[C@@H](Cc3cc(c(c(c3)Br)O)Br)NC(=O)OCC4c5ccccc5-c6c4cccc6
InChi: InChI=1S/C44H50Br2N6O7/c1-44(2,3)59-42(56)48-17-9-8-14-37(41(55)52-22-20-51(21-23-52)29-15-18-47-19-16-29)49-40(54)38(26-28-24-35(45)39(53)36(46)25-28)50-43(57)58-27-34-32-12-6-4-10-30(32)31-11-5-7-13-33(31)34/h4-7,10-13,15-16,18-19,24-25,34,37-38,53H,8-9,14,17,20-23,26-27H2,1-3H3,(H,48,56)(H,49,54)(H,50,57)/t37-,38+/m0/s1
InChiKey: InChIKey=DHKYACODIMFFOG-QPPIDDCLSA-N

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