- 9 of 10 defined stereocentres
1-({(4S,7S,10S,16R,19S)-19-Amino-7-(2-amino-2-oxoethyl)-13-[(2R)-2-butanyl]-16-(4-hydroxybenzyl)-10-[(1S)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbony l)-D-prolyl-D-leucylglycinamide
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)O CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSC[C@@H](N)C(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)NC([C@H](C)CC)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI=1S/C42H65N11O12S2/c1-6-21(4)33-40(63)52-34(22(5)54)41(64)49-28(16-31(44)56)37(60)50-29(19-67-66-18-25(43)35(58)47-27(38(61)51-33)15-23-9-11-24(55)12-10-23)42(65)53-13-7-8-30(53)39(62)48-26(14-20(2)3)36(59)46-17-32(45)57/h9-12,20-22,25-30,33-34,54-55H,6-8,13-19,43H2,1-5H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61)(H,52,63)/t21-,22+,25-,26-,27-,28+,29-,30-,33?,34+/m1/s1
ZDRRIRUAESZNIH-JLSAMJFVSA-N
CSID:107562133, http://www.chemspider.com/Chemical-Structure.107562133.html (accessed 03:29, Apr 18, 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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