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- 9 of 13 defined stereocentres
N-[(2S)-4-Amino-1-{[(3R)-1-{[4-amino-1-oxo-1-({(6R,9S,15S,18S,21S)-6,9,18-tris(2-aminoethyl)-12-[(2S)-2-butanyl]-3-[(1R)-1-hydroxyethyl]-15-isobutyl-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]-6-methylheptanamide
CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCN)NC(=O)C(CCN)NC(=O)C([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)[C@@H](C)O)CCN)CCN
InChI=1S/C52H98N16O13/c1-9-29(6)40-51(80)63-34(16-22-55)43(72)61-36(18-24-57)48(77)67-41(30(7)69)50(79)58-25-19-37(46(75)60-33(15-21-54)45(74)65-38(26-28(4)5)49(78)66-40)62-44(73)35(17-23-56)64-52(81)42(31(8)70)68-47(76)32(14-20-53)59-39(71)13-11-10-12-27(2)3/h27-38,40-42,69-70H,9-26,53-57H2,1-8H3,(H,58,79)(H,59,71)(H,60,75)(H,61,72)(H,62,73)(H,63,80)(H,64,81)(H,65,74)(H,66,78)(H,67,77)(H,68,76)/t29-,30+,31+,32-,33-,34-,35?,36+,37-,38-,40?,41?,42?/m0/s1
DRHFCEIZVVAMEH-LKUIRFIBSA-N
CSID:58768, http://www.chemspider.com/Chemical-Structure.58768.html (accessed 16:21, Apr 29, 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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