Try beta.chemspider
- Double-bond stereo
- 18 of 19 defined stereocentres
1-{(2Z)-2-[(3-Hydroxyoctanoyl)amino]-2-butenoyl}-L-prolyl-D-seryl-D-leucyl-D-valyl-D-seryl-D-leucyl-D-valyl-L-valyl-D-glutaminyl-L-leucyl-N-[(2Z)-1-{[(3S,6R,9S,12S,15R,16R)-3-(4-aminobutyl)-6-(2-amino ethyl)-12-[(2S)-2-butanyl]-9-(2-hydroxyethyl)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]amino}-1-oxo-2-buten-2-yl]-D-valinamide
CCCCCC(O)CC(=O)N/C(=C\C)/C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N/C(=C\C)/C(=O)N[C@@H]1[C@@H](C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCO)NC(=O)[C@@H](NC1=O)[C@@H](C)CC
InChI=1S/C94H163N21O25/c1-21-25-26-30-56(119)44-70(121)98-58(24-4)93(138)115-39-29-32-68(115)86(131)107-66(45-117)84(129)105-64(42-48(7)8)82(127)110-72(51(13)14)89(134)108-67(46-118)85(130)106-65(43-49(9)10)83(128)111-74(53(17)18)90(135)112-73(52(15)16)88(133)101-59(33-34-69(97)120)78(123)104-63(41-47(5)6)81(126)109-71(50(11)12)87(132)99-57(23-3)77(122)114-76-55(20)140-94(139)62(31-27-28-37-95)103-79(124)60(35-38-96)100-80(125)61(36-40-116)102-91(136)75(54(19)22-2)113-92(76)137/h23-24,47-56,59-68,71-76,116-119H,21-22,25-46,95-96H2,1-20H3,(H2,97,120)(H,98,121)(H,99,132)(H,100,125)(H,101,133)(H,102,136)(H,103,124)(H,104,123)(H,105,129)(H,106,130)(H,107,131)(H,108,134)(H,109,126)(H,110,127)(H,111,128)(H,112,135)(H,113,137)(H,114,122)/b57-23-,58-24-/t54-,55+,56?,59+,60+,61-,62-,63-,64+,65+,66+,67+,68-,71+,72+,73-,74+,75-,76+/m0/s1
PQXDAQPDGVWOTE-ZJOVYRACSA-N
CSID:78438712, http://www.chemspider.com/Chemical-Structure.78438712.html (accessed 09:40, Jun 8, 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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