Try beta.chemspider
- 17 of 17 defined stereocentres
N-{[(5S,8S,11S,14S,17S,20S,23S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxymethyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-o ctaazacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-leucyl-L-proline
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@@H]5CCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)CCCNC(=N)N)Cc6ccc(cc6)O)C(C)C)CC(C)C)CCC(=O)N)CO
InChI=1S/C94H142N26O25/c1-13-50(12)77(91(142)114-65(33-46(4)5)92(143)120-31-17-21-68(120)93(144)145)119-90(141)76(49(10)11)118-85(136)64(37-70(96)125)112-87(138)67(43-122)115-82(133)63(36-53-39-99-44-104-53)105-73(128)41-103-88(139)74(47(6)7)116-84(135)62(35-52-38-101-56-19-15-14-18-55(52)56)111-80(131)59-27-29-71(126)102-40-72(127)106-66(42-121)86(137)109-58(26-28-69(95)124)79(130)110-60(32-45(2)3)83(134)117-75(48(8)9)89(140)113-61(34-51-22-24-54(123)25-23-51)81(132)107-57(78(129)108-59)20-16-30-100-94(97)98/h14-15,18-19,22-25,38-39,44-50,57-68,74-77,101,121-123H,13,16-17,20-21,26-37,40-43H2,1-12H3,(H2,95,124)(H2,96,125)(H,99,104)(H,102,126)(H,103,139)(H,105,128)(H,106,127)(H,107,132)(H,108,129)(H,109,137)(H,110,130)(H,111,131)(H,112,138)(H,113,140)(H,114,142)(H,115,133)(H,116,135)(H,117,134)(H,118,136)(H,119,141)(H,144,145)(H4,97,98,100)/t50-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-,77-/m0/s1
MJXKYYQJGOCUNE-KBACZRJDSA-N
CSID:24628826, http://www.chemspider.com/Chemical-Structure.24628826.html (accessed 09:58, Apr 25, 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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