Try beta.chemspider
- 12 of 12 defined stereocentres
N-[(2S)-4-Amino-1-{[(2R,3S)-1-{[(2S)-4-amino-1-oxo-1-({(3R,6R,9R,12S,16R,19R,22S)-6,9,19-tris(2-aminoethyl)-3-[(1S)-1-hydroxyethyl]-16-isobutyl-12-isopropyl-2,5,8,11,15,18,21-heptaoxo-1,4,7,10,14,17,2 0-heptaazacyclotetracosan-22-yl}amino)-2-butanyl]amino}-3-hydroxy-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]-6-methylheptanamide
C[C@@H]([C@@H]1C(=O)NCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)NC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CCN)CCN)C(C)C)CC(C)C)CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O
InChI=1S/C52H98N16O13/c1-27(2)11-9-10-12-40(71)60-33(13-19-53)49(78)68-42(31(8)70)52(81)65-36(16-22-56)46(75)64-38-18-24-58-51(80)41(30(7)69)67-50(79)37(17-23-57)63-45(74)34(14-20-54)61-43(72)32(29(5)6)26-59-44(73)39(25-28(3)4)66-47(76)35(15-21-55)62-48(38)77/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,73)(H,60,71)(H,61,72)(H,62,77)(H,63,74)(H,64,75)(H,65,81)(H,66,76)(H,67,79)(H,68,78)/t30-,31-,32+,33-,34+,35+,36-,37+,38-,39+,41+,42+/m0/s1
MEOTUCBFWIQPRL-YTNRZDPHSA-N
CSID:5036586, http://www.chemspider.com/Chemical-Structure.5036586.html (accessed 02:22, Apr 26, 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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