- 16 of 16 defined stereocentres
(2S,5S,8S,11S,14S)-14-{[(5S,8S,11S,14S,17S,20S,26S,29S)-32-Amino-17,29-bis(3-amino-3-oxopropyl)-5,8-di[(2S)-2-butanyl]-20-(3-carbamimidamidopropyl)-26-isopropyl-11-methyl-14-(2-naphthylmethyl)-4,7,10, 13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazadotriacontan-1-oyl]amino}-5-(2-amino-2-oxoethyl)-8-[(2S)-2-butanyl]-2-(3-carbamimidamidopropyl)-11-(carboxymethyl)-4,7,10,13-tetraoxo-3,6 ,9,12-tetraazahexadecane-1,16-dioic acid
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CN
InChI=1S/C79H125N25O24/c1-10-38(6)62(74(124)91-36-58(110)95-51(32-59(111)112)71(121)99-52(33-60(113)114)72(122)103-63(39(7)11-2)75(125)100-50(31-55(83)107)70(120)97-48(77(127)128)20-16-28-89-79(86)87)104-76(126)64(40(8)12-3)102-65(115)41(9)92-69(119)49(30-42-21-22-43-17-13-14-18-44(43)29-42)98-67(117)47(24-26-54(82)106)96-66(116)45(19-15-27-88-78(84)85)94-57(109)35-90-73(123)61(37(4)5)101-68(118)46(23-25-53(81)105)93-56(108)34-80/h13-14,17-18,21-22,29,37-41,45-52,61-64H,10-12,15-16,19-20,23-28,30-36,80H2,1-9H3,(H2,81,105)(H2,82,106)(H2,83,107)(H,90,123)(H,91,124)(H,92,119)(H,93,108)(H,94,109)(H,95,110)(H,96,116)(H,97,120)(H,98,117)(H,99,121)(H,100,125)(H,101,118)(H,102,115)(H,103,122)(H,104,126)(H,111,112)(H,113,114)(H,127,128)(H4,84,85,88)(H4,86,87,89)/t38-,39-,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,61-,62-,63-,64-/m0/s1
YLQQUBXHSIQZNL-KSVYLHHASA-N
CSID:24709514, http://www.chemspider.com/Chemical-Structure.24709514.html (accessed 11:04, Mar 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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