- 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- [methyl(2-{methyl[4-(pentyloxy)phenyl]amino}ethyl)amino]benzamide
CCCCCOc1ccc(cc1)N(C)CCN(C)c2ccc(cc2)C(=O)N[C@H]3CCCNC(=O)C4C[C@@H](CN4C(=O)C(NC(=O)C(NC(=O)C5C[C@H](CN5C(=O)C(NC3=O)C(C)O)O)CCc6ccc(cc6)O)C(C)O)N
InChI=1S/C55H78N10O12/c1-6-7-8-28-77-42-22-18-39(19-23-42)63(5)27-26-62(4)38-16-14-36(15-17-38)49(70)58-43-10-9-25-57-52(73)45-29-37(56)31-64(45)54(75)47(33(2)66)61-51(72)44(24-13-35-11-20-40(68)21-12-35)59-53(74)46-30-41(69)32-65(46)55(76)48(34(3)67)60-50(43)71/h11-12,14-23,33-34,37,41,43-48,66-69H,6-10,13,24-32,56H2,1-5H3,(H,57,73)(H,58,70)(H,59,74)(H,60,71)(H,61,72)/t33?,34?,37-,41+,43-,44?,45?,46?,47?,48?/m0/s1
XQZLASJTDBHPFV-TXVJRVKASA-N
CSID:432099, http://www.chemspider.com/Chemical-Structure.432099.html (accessed 01:35, Mar 19, 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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