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- 10 of 10 defined stereocentres
N-[(2S,5S,8S,11S,12S,15S,18S,21R)-15-(3-Amino-3-oxopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-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]-Nalpha-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]-L-tyrosinamide
CN1[C@@H](CC2C=CC(O)=CC=2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H](C)[C@H](NC(=O)[C@H](CC2C=CC(O)=CC=2)NC(=O)[C@H](O)CC2C=CC(O)=CC=2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2CC[C@@H](O)N([C@@H](CC(C)C)C1=O)C2=O
InChI=1S/C53H70N8O15/c1-27(2)23-40-52(74)60(6)39(25-31-9-15-34(63)16-10-31)48(70)58-44(28(3)4)53(75)76-29(5)45(50(72)55-36(19-21-42(54)66)46(68)56-37-20-22-43(67)61(40)51(37)73)59-47(69)38(24-30-7-13-33(62)14-8-30)57-49(71)41(65)26-32-11-17-35(64)18-12-32/h7-18,27-29,36-41,43-45,62-65,67H,19-26H2,1-6H3,(H2,54,66)(H,55,72)(H,56,68)(H,57,71)(H,58,70)(H,59,69)/t29-,36-,37-,38-,39-,40-,41+,43+,44-,45-/m0/s1
OYZCQQLGGJQPJU-ACXDUPKJSA-N
CSID:78439243, http://www.chemspider.com/Chemical-Structure.78439243.html (accessed 03:09, 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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