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- 10 of 10 defined stereocentres
N~2~-Acetyl-N~1~-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-amino-3-oxopropyl)-2-benzyl-8-[(2S)-2-butanyl]-5-(3-chloro-4-hydroxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pe ntaazabicyclo[16.3.1]docos-12-yl]-L-glutamamide
CN1[C@@H](CC2C=CC(O)=C(Cl)C=2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CC[C@@H](O)N([C@@H](CC3C=CC=CC=3)C1=O)C2=O
InChI=1S/C46H62ClN9O13/c1-6-23(2)38-46(68)69-24(3)39(54-41(63)29(50-25(4)57)13-17-35(48)59)43(65)51-30(14-18-36(49)60)40(62)52-31-15-19-37(61)56(44(31)66)33(21-26-10-8-7-9-11-26)45(67)55(5)32(42(64)53-38)22-27-12-16-34(58)28(47)20-27/h7-12,16,20,23-24,29-33,37-39,58,61H,6,13-15,17-19,21-22H2,1-5H3,(H2,48,59)(H2,49,60)(H,50,57)(H,51,65)(H,52,62)(H,53,64)(H,54,63)/t23-,24+,29-,30-,31-,32-,33-,37+,38-,39-/m0/s1
CTRNIFCHKNRZTD-JTVKUUGFSA-N
CSID:78436414, http://www.chemspider.com/Chemical-Structure.78436414.html (accessed 03:20, Jul 2, 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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