Try beta.chemspider
- Double-bond stereo
- 6 of 6 defined stereocentres
N-{(3S,7R,10Z,13R,17S,22aS)-13-(3-Amino-3-oxopropyl)-7-{(2S)-2-hydroxy-3-[(2-hydroxyethyl)amino]-3-oxopropyl}-10-(1H-indol-3-ylmethylene)-3-[2-(methylsulfanyl)ethyl]-1,4,5,8,11,14,18-heptaoxodocosahyd ropyrrolo[1,2-n][1,4,7,10,14,17]hexaazacycloicosin-17-yl}benzamide
CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)[C@@H](CCC(N)=O)NC(=O)/C(=C/C2=CNC3=CC=CC=C23)/NC(=O)[C@@H](C[C@H](O)C(=O)NCCO)NC(=O)C1=O)NC(=O)C1C=CC=CC=1
InChI=1S/C44H54N10O12S/c1-67-19-15-28-36(58)43(65)52-31(21-34(56)42(64)46-16-18-55)40(62)51-30(20-25-22-47-27-11-6-5-10-26(25)27)39(61)50-29(13-14-35(45)57)38(60)48-23-32(53-37(59)24-8-3-2-4-9-24)44(66)54-17-7-12-33(54)41(63)49-28/h2-6,8-11,20,22,28-29,31-34,47,55-56H,7,12-19,21,23H2,1H3,(H2,45,57)(H,46,64)(H,48,60)(H,49,63)(H,50,61)(H,51,62)(H,52,65)(H,53,59)/b30-20-/t28-,29+,31+,32-,33-,34-/m0/s1
RIJAUTKWSDWZAH-MDUPEUTGSA-N
CSID:78437172, http://www.chemspider.com/Chemical-Structure.78437172.html (accessed 00:24, Jul 5, 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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