Try beta.chemspider
- 16 of 16 defined stereocentres
(3S,4E,6S,7E,9S,10E,12S,13E,15S,16S)-3-Amino-15-[(E)-{[(2S)-1-{(2S)-2-[(1E,3S,4Z,6S,7Z,9S,10Z,12S,13Z,15S,16Z,18S,19Z,21S)-3-benzyl-15-[(2S)-2-butanyl]-21-carboxy-1,4,7,10,13,16,19,23-octahydroxy-6,18 -bis(1H-imidazol-5-ylmethyl)-23-imino-9-isobutyl-12-isopropyl-2,5,8,11,14,17,20-heptaazatricosa-1,4,7,10,13,16,19-heptaen-1-yl]-1-pyrrolidinyl}-3-(1H-imidazol-5-yl)-1-oxo-2-propanyl]imino}(hydroxy)met hyl]-6-(3-carbamimidamidopropyl)-4,7,10,13-tetrahydroxy-12-(4-hydroxybenzyl)-9-isopropyl-16-methyl-5,8,11,14-tetraazaoctadeca-4,7,10,13-tetraen-1-oic acid
CC[C@H](C)[C@@H](/C(=N\[C@@H](Cc1cnc[nH]1)C(=O)N2CCC[C@H]2/C(=N\[C@@H](Cc3ccccc3)/C(=N/[C@@H](Cc4cnc[nH]4)/C(=N/[C@@H](CC(C)C)/C(=N/[C@@H](C(C)C)/C(=N/[C@@H]([C@@H](C)CC)/C(=N/[C@@H](Cc5cnc[nH]5)/C(=N/[C@@H](CC(=N)O)C(=O)O)/O)/O)/O)/O)/O)/O)/O)/O)/N=C(\[C@H](Cc6ccc(cc6)O)/N=C(\[C@H](C(C)C)/N=C(\[C@H](CCCNC(=N)N)/N=C(\[C@H](CC(=O)O)N)/O)/O)/O)/O
InChI=1S/C83H122N24O19/c1-11-45(9)67(105-75(118)57(30-48-22-24-52(108)25-23-48)99-77(120)65(43(5)6)103-70(113)54(20-16-26-91-83(86)87)95-69(112)53(84)34-64(110)111)80(123)101-60(33-51-38-90-41-94-51)81(124)107-27-17-21-62(107)76(119)98-56(29-47-18-14-13-15-19-47)71(114)97-58(31-49-36-88-39-92-49)72(115)96-55(28-42(3)4)74(117)104-66(44(7)8)78(121)106-68(46(10)12-2)79(122)100-59(32-50-37-89-40-93-50)73(116)102-61(82(125)126)35-63(85)109/h13-15,18-19,22-25,36-46,53-62,65-68,108H,11-12,16-17,20-21,26-35,84H2,1-10H3,(H2,85,109)(H,88,92)(H,89,93)(H,90,94)(H,95,112)(H,96,115)(H,97,114)(H,98,119)(H,99,120)(H,100,122)(H,101,123)(H,102,116)(H,103,113)(H,104,117)(H,105,118)(H,106,121)(H,110,111)(H,125,126)(H4,86,87,91)/t45-,46-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-,68-/m0/s1
UYYRANYWSOXAEK-CYHHWISKSA-N
CSID:29272862, http://www.chemspider.com/Chemical-Structure.29272862.html (accessed 11:22, Apr 24, 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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