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- 7 of 9 defined stereocentres
- Non-standard isotope
1-{[(7S,10S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}- L-prolyl-D-(5,5,5-~2~H_3_)leucyl(2,2-~2~H_2_)glycinamide
[2H]C([2H])([2H])C(C)C[C@H](C(=O)NC([2H])([2H])C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)C2CSSC[C@@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)[C@@H](C)CC)Cc3ccc(cc3)O)N
InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27+,28-,29-,30?,31-,35?/m0/s1/i2D3,18D2/t21?,22-,25-,26-,27+,28-,29-,30?,31-,35?
XNOPRXBHLZRZKH-IQCYHNHVSA-N
CSID:45852895, http://www.chemspider.com/Chemical-Structure.45852895.html (accessed 05:39, Apr 27, 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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