- 12 of 12 defined stereocentres
N-[(2R)-4-Amino-1-{[(2S,3R)-1-{[(2S)-4-amino-1-oxo-1-({(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-diisobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaa zacyclotricosan-21-yl}amino)-2-butanyl]amino}-3-hydroxy-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]octanamide
CCCCCCCC(=O)N[C@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)[C@@H](C)O
InChI=1S/C52H98N16O13/c1-8-9-10-11-12-13-40(71)59-32(14-20-53)47(76)68-42(31(7)70)52(81)64-35(17-23-56)44(73)63-37-19-25-58-51(80)41(30(6)69)67-48(77)36(18-24-57)61-43(72)33(15-21-54)62-49(78)38(26-28(2)3)66-50(79)39(27-29(4)5)65-45(74)34(16-22-55)60-46(37)75/h28-39,41-42,69-70H,8-27,53-57H2,1-7H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t30-,31-,32-,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1
VTNUBRNXGUOHGX-BMFIOGSKSA-N
CSID:17342790, http://www.chemspider.com/Chemical-Structure.17342790.html (accessed 00:43, 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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