Try beta.chemspider
- 5 of 16 defined stereocentres
(5aS,38R,41R,44R,46aR)-17,20,26,29,35-Pentakis(2-aminoethyl)-32-(3-aminopropyl)-38-[(2R)-2-butanyl]-44-[(1S)-1-hydroxyethyl]-11-(hydroxymethyl)-23,41-bis(1H-indol-3-ylmethyl)-14-methyltriacontahydro-1 H,5H-dipyrrolo[1,2-a:1',2'-d][1,4,7,10,13,16,19,22,25,28,31,34,37,40]tetradecaazacyclodotetracontine-5,10,13,16,19,22,25,28,31,34,37,40,43,46(46aH)-tetradecone
CCC(C)[C@H]1NC(=O)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)C(CO)NC(=O)C(C)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC2=CNC3=CC=CC=C23)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CCCN)NC(=O)C(CCN)NC1=O)C(C)O
InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-53(33-41-35-80-45-15-8-6-13-43(41)45)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)82-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-54(68(106)92-58)34-42-36-81-46-16-9-7-14-44(42)46/h6-9,13-16,35-36,38-40,47-59,80-81,96-97H,5,10-12,17-34,37,74-79H2,1-4H3,(H,82,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38?,39?,40?,47?,48?,49?,50?,51?,52?,53?,54-,55?,56-,57+,58-,59-/m1/s1
RIDRXGOBXZLKHZ-IYGKRFAYSA-N
CSID:78431969, http://www.chemspider.com/Chemical-Structure.78431969.html (accessed 17:24, Apr 26, 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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