Try beta.chemspider
- 15 of 15 defined stereocentres
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-N~6~-[5-(2-{(2S,4S)-4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2- tetracenyl}-2-oxoethoxy)-5-oxopentanoyl]-D-lysyl-L-leucyl-L-arginyl-L-prolylglycinamide acetate (1:1)
CC(O)=O.COC1=CC=CC2=C1C(=O)C1C(C2=O)=C(O)C2C[C@](O)(C[C@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C=2C=1O)C(=O)COC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](CC1C=CC(O)=CC=1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2C=CC=CC1=2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
InChI=1S/C91H117N19O26.C2H4O2/c1-44(2)31-58(83(125)104-57(17-11-29-98-90(94)95)89(131)110-30-12-18-63(110)88(130)100-40-67(93)114)105-81(123)55(16-7-8-28-97-68(115)20-10-21-70(117)134-42-66(113)91(132)36-52-73(65(37-91)136-71-35-53(92)76(118)45(3)135-71)80(122)75-74(78(52)120)77(119)51-14-9-19-64(133-4)72(51)79(75)121)103-84(126)59(32-46-22-24-49(112)25-23-46)106-87(129)62(41-111)109-85(127)60(33-47-38-99-54-15-6-5-13-50(47)54)107-86(128)61(34-48-39-96-43-101-48)108-82(124)56-26-27-69(116)102-56;1-2(3)4/h5-6,9,13-15,19,22-25,38-39,43-45,53,55-63,65,71,76,99,111-112,118,120,122,132H,7-8,10-12,16-18,20-21,26-37,40-42,92H2,1-4H3,(H2,93,114)(H,96,101)(H,97,115)(H,100,130)(H,102,116)(H,103,126)(H,104,125)(H,105,123)(H,106,129)(H,107,128)(H,108,124)(H,109,127)(H4,94,95,98);1H3,(H,3,4)/t45-,53-,55+,56-,57-,58-,59-,60-,61-,62-,63-,65-,71-,76+,91-;/m0./s1
KNFBFAYGLUSKNV-GOXRTRPTSA-N
CSID:76787977, http://www.chemspider.com/Chemical-Structure.76787977.html (accessed 07:38, May 3, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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