- 3 of 10 defined stereocentres
N-{(2R,9S,16S)-16-Amino-2-hydroxy-6,20-bis(1-hydroxyethyl)-23-[2-(4-hydroxyphenyl)ethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4- {4-[4-(dodecyloxy)phenyl]-1-piperazinyl}benzamide
CCCCCCCCCCCCOc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)C(=O)N[C@H]4CCCNC(=O)C5C[C@@H](CN5C(=O)C(NC(=O)C(NC(=O)C6C[C@H](CN6C(=O)C(NC4=O)C(C)O)O)CCc7ccc(cc7)O)C(C)O)N
InChI=1S/C62H90N10O12/c1-4-5-6-7-8-9-10-11-12-13-35-84-49-27-23-46(24-28-49)70-33-31-69(32-34-70)45-21-19-43(20-22-45)56(77)65-50-15-14-30-64-59(80)52-36-44(63)38-71(52)61(82)54(40(2)73)68-58(79)51(29-18-42-16-25-47(75)26-17-42)66-60(81)53-37-48(76)39-72(53)62(83)55(41(3)74)67-57(50)78/h16-17,19-28,40-41,44,48,50-55,73-76H,4-15,18,29-39,63H2,1-3H3,(H,64,80)(H,65,77)(H,66,81)(H,67,78)(H,68,79)/t40?,41?,44-,48+,50-,51?,52?,53?,54?,55?/m0/s1
XFJGIPCCIARUDC-RBCIYNABSA-N
CSID:432097, http://www.chemspider.com/Chemical-Structure.432097.html (accessed 16:44, Mar 28, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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