Try beta.chemspider
- 9 of 9 defined stereocentres
(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-2-[[2-[[2-(acetyl-methyl-amino)acetyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]-N-ethyl-pyrrolidine-2-carboxamide
O=C(NCC)[C@H]1N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C(=O)C)C)C(C)C)CCCC)[C@H](O)C)CCC)[C@@H](C)CC)CCC/N=C(\N)N)CCC1
InChI=1S/C46H83N13O11/c1-11-15-19-31(53-42(67)36(26(5)6)55-34(62)24-51-35(63)25-58(10)29(9)61)40(65)57-38(28(8)60)44(69)52-30(18-12-2)39(64)56-37(27(7)13-3)43(68)54-32(20-16-22-50-46(47)48)45(70)59-23-17-21-33(59)41(66)49-14-4/h26-28,30-33,36-38,60H,11-25H2,1-10H3,(H,49,66)(H,51,63)(H,52,69)(H,53,67)(H,54,68)(H,55,62)(H,56,64)(H,57,65)(H4,47,48,50)/t27-,28+,30-,31+,32-,33-,36-,37-,38-/m0/s1
BSOMLKKSSBXMDL-MRHBKXDYSA-N
CSID:8549205, http://www.chemspider.com/Chemical-Structure.8549205.html (accessed 01:06, Jul 9, 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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