Try beta.chemspider
- Double-bond stereo
(4E,9E,12E,15E,18Z)-10-(4-Aminobutyl)-16-(4-hydroxybenzyl)-7-(1-hydroxyethyl)-19-{[(1E)-1-hydroxy-2-({(Z)-1-hydroxy-2-[4,7,10-tris(2,2-dihydroxyvinyl)-1,4,7,10-tetraazacyclododecan-1-yl]vinyl}amino)-3 -phenyl-1-propen-1-yl]amino}-4-{hydroxy[(1,1,3-trihydroxy-1-buten-2-yl)amino]methylene}-13-(1H-indol-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosa-6,9,12,15,18-pentaene-6,9,12,15,18-pentol
CC(O)C1NC(O)=C(CCCCN)NC(O)=C(CC2=CNC3=CC=CC=C23)NC(O)=C(CC2C=CC(O)=CC=2)NC(O)=C(CSSC/C(/NC=1O)=C(\O)/NC(C(C)O)=C(O)O)N/C(/O)=C(/CC1C=CC=CC=1)\N/C(/O)=C/N1CCN(CCN(CCN(CC1)C=C(O)O)C=C(O)O)C=C(O)O |c:44,t:6,15,31,52|
InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31-35,38-39,67-75,80-98H,8-9,14,19-30,36-37,66H2,1-2H3/b52-32-,58-46+,59-47+,60-48+,61-49+,62-50-,63-51+,64-56+
HPMLJWOCTFKLDG-ACSXMUIUSA-N
CSID:95558773, http://www.chemspider.com/Chemical-Structure.95558773.html (accessed 05:24, Jun 1, 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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