- 8 of 8 defined stereocentres
(8R,9S,12S,15S,18S,21S,27S)-21-(3-{[Ammonio(imino)methyl]amino}propyl)-12-isobutyl-8,15-diisopropyl-10,13,16,19,22,25-hexaoxo-9-[(5-oxo-L-prolyl)amino]-2,11,14,17,20,23,26,30,32-nonaazapentacyclo[16.1 4.2.1~3,7~.1~29,32~.0~4,33~]hexatriaconta-1(33),3(36),4,6,29(35),30-hexaene-27-carboxylate
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H]2Cc3c4ccc(cc4[nH]c3-n5cc(nc5)C[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCNC(=[NH2+])N)C(=O)[O-])[C@H]([C@@H](C(=O)N1)NC(=O)[C@@H]6CCC(=O)N6)C(C)C)C(C)C
InChI=1S/C47H66N14O10/c1-21(2)14-31-43(67)59-37(23(5)6)44(68)58-32-17-27-26-10-9-24(36(22(3)4)38(45(69)57-31)60-41(65)29-11-12-34(62)53-29)15-30(26)55-39(27)61-19-25(52-20-61)16-33(46(70)71)54-35(63)18-51-40(64)28(56-42(32)66)8-7-13-50-47(48)49/h9-10,15,19-23,28-29,31-33,36-38,55H,7-8,11-14,16-18H2,1-6H3,(H,51,64)(H,53,62)(H,54,63)(H,56,66)(H,57,69)(H,58,68)(H,59,67)(H,60,65)(H,70,71)(H4,48,49,50)/t28-,29-,31-,32-,33-,36+,37-,38-/m0/s1
UCSHFBQCLZMAJY-QFMFBHDYSA-N
CSID:10356647, http://www.chemspider.com/Chemical-Structure.10356647.html (accessed 21:38, Apr 19, 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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