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- 9 of 9 defined stereocentres
N~2~-Acetyl-N~1~-[(2R,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-5-(3-chloro-4-hydroxybenzyl)-21-hydroxy-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1 ]docos-12-yl]-L-glutamamide
CN1[C@@H](CC2C=CC(O)=C(Cl)C=2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N([C@H](CC3C=CC=CC=3)C1=O)C2=O
InChI=1S/C46H63ClN8O12/c1-23(2)19-32-41(61)50-31-15-18-37(59)55(44(31)64)34(21-27-11-9-8-10-12-27)45(65)54(7)33(22-28-13-16-35(57)29(47)20-28)42(62)52-38(24(3)4)46(66)67-25(5)39(43(63)51-32)53-40(60)30(49-26(6)56)14-17-36(48)58/h8-13,16,20,23-25,30-34,37-39,57,59H,14-15,17-19,21-22H2,1-7H3,(H2,48,58)(H,49,56)(H,50,61)(H,51,63)(H,52,62)(H,53,60)/t25-,30-,31-,32-,33-,34+,37+,38-,39-/m0/s1
JECPFNPTJNKMMN-ZMFSYKMZSA-N
CSID:78440275, http://www.chemspider.com/Chemical-Structure.78440275.html (accessed 01:48, 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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