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- Double-bond stereo
1-{(2Z)-2-[(3-Hydroxyoctanoyl)amino]-2-butenoyl}prolylserylleucylvalylserylleucylvalylvalylglutaminylleucyl-N-[(2Z)-1-{[3-(4-aminobutyl)-6-(2-aminoethyl)-9-(2-hydroxyethyl)-12-isobutyl-16-methyl-2,5,8 ,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]amino}-1-oxo-2-buten-2-yl]valinamide
CC1OC(=O)C(CCCCN)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CC(C)C)NC(=O)C1NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)/C(=C/C)/NC(=O)CC(O)CCCCC)C(C)C)C(C)C)C(C)C)C(C)C
InChI=1S/C94H163N21O25/c1-21-24-25-29-56(119)44-71(121)98-58(23-3)93(138)115-38-28-31-69(115)87(132)108-67(45-117)85(130)105-65(42-49(8)9)83(128)111-73(52(14)15)90(135)109-68(46-118)86(131)106-66(43-50(10)11)84(129)112-75(54(18)19)91(136)113-74(53(16)17)89(134)102-59(32-33-70(97)120)78(123)104-64(41-48(6)7)82(127)110-72(51(12)13)88(133)99-57(22-2)77(122)114-76-55(20)140-94(139)62(30-26-27-36-95)103-79(124)60(34-37-96)100-80(125)61(35-39-116)101-81(126)63(40-47(4)5)107-92(76)137/h22-23,47-56,59-69,72-76,116-119H,21,24-46,95-96H2,1-20H3,(H2,97,120)(H,98,121)(H,99,133)(H,100,125)(H,101,126)(H,102,134)(H,103,124)(H,104,123)(H,105,130)(H,106,131)(H,107,137)(H,108,132)(H,109,135)(H,110,127)(H,111,128)(H,112,129)(H,113,136)(H,114,122)/b57-22-,58-23-
GNSYIOGOBDUEMK-VHKRSXHOSA-N
CSID:78444403, http://www.chemspider.com/Chemical-Structure.78444403.html (accessed 01:34, May 14, 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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