Try beta.chemspider
- 15 of 15 defined stereocentres
(2S,6S,9S,16S)-16-{(S)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}- 9-[(1S)-1-{[13-(N-hydroxycarbamimidamido)tridecanoyl]oxy}-2-methylpropyl]-6-[(4S)-2-iminohexahydro-4-pyrimidinyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferr ed name)
CC(C)[C@@H]([C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(=O)[nH]c2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)OC)C(=O)O)NC(=O)[C@H]([C@@H]4CCNC(=N)N4)NC(=O)N[C@@H](C(C)C)C(=O)O)OC(=O)CCCCCCCCCCCCN(C(=N)N)O
InChI=1S/C52H90N14O19/c1-26(2)32(46(74)75)63-51(78)64-33(28-18-22-59-50(56)60-28)44(73)62-34(39(27(3)4)83-31(68)17-14-12-10-8-6-7-9-11-13-15-23-66(80)49(54)55)43(72)58-21-16-20-57-35(47(76)77)40(85-48-42(81-5)36(69)29(25-53)82-48)41-37(70)38(71)45(84-41)65-24-19-30(67)61-52(65)79/h19,24,26-29,32-42,45,48,57,69-71,80H,6-18,20-23,25,53H2,1-5H3,(H3,54,55)(H,58,72)(H,62,73)(H,74,75)(H,76,77)(H3,56,59,60)(H,61,67,79)(H2,63,64,78)/t28-,29+,32-,33-,34-,35-,36+,37-,38+,39-,40-,41-,42+,45+,48-/m0/s1
SIMBTKIJSDLMPW-SDTQCLEHSA-N
CSID:34500886, http://www.chemspider.com/Chemical-Structure.34500886.html (accessed 02:32, May 3, 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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