Try beta.chemspider
- 8 of 8 defined stereocentres
(2S)-N-[(2S,5S,8S,11S,17R,20S)-25-Amino-3,6,9,12,15,18-hexahydroxy-11-(4-hydroxybenzyl)-20-{[(2S)-2-{hydroxy[(2-hydroxy-2-iminoethyl)imino]methyl}-1-pyrrolidinyl]carbonyl}-8-(hydroxymethyl)-1-(1H-imid azol-5-yl)-25-imino-5-(1H-indol-3-ylmethyl)-17-isobutyl-4,7,10,13,16,19,24-heptaazapentacosa-3,6,9,12,15,18-hexaen-2-yl]-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboximidic acid
CC(C)C[C@H](C(=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=NCC(=N)O)O)O)N=C(CN=C([C@H](Cc2ccc(cc2)O)N=C([C@H](CO)N=C([C@H](Cc3c[nH]c4c3cccc4)N=C([C@H](Cc5cnc[nH]5)N=C([C@@H]6CCC(=N6)O)O)O)O)O)O)O
InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38+,39-,40-,41-,42-,43-/m0/s1
XLXSAKCOAKORKW-BKAYIBTGSA-N
CSID:57260370, http://www.chemspider.com/Chemical-Structure.57260370.html (accessed 09:32, Apr 29, 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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