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- 8 of 8 defined stereocentres
2-[(3S,6S,9S,12S,15S,18S,21S,24S)-9-(4-aminobutyl)-15-benzyl-21-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-3-isopropyl-6-methyl-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosan-18-yl]acetic acid
O=C2N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2C(C)C)C)CCCCN)Cc4c3ccccc3nc4)Cc5ccccc5)CC(=O)O)Cc6ccc(O)cc6
InChI=1S/C52H66N10O11/c1-29(2)44-52(73)62-23-11-17-42(62)51(72)60-39(25-32-18-20-34(63)21-19-32)48(69)59-41(27-43(64)65)50(71)57-38(24-31-12-5-4-6-13-31)47(68)58-40(26-33-28-54-36-15-8-7-14-35(33)36)49(70)56-37(16-9-10-22-53)46(67)55-30(3)45(66)61-44/h4-8,12-15,18-21,28-30,37-42,44,54,63H,9-11,16-17,22-27,53H2,1-3H3,(H,55,67)(H,56,70)(H,57,71)(H,58,68)(H,59,69)(H,60,72)(H,61,66)(H,64,65)/t30-,37-,38-,39-,40-,41-,42-,44-/m0/s1
APOLYTJSSKGYDB-JCMRZFRBSA-N
CSID:8278047, http://www.chemspider.com/Chemical-Structure.8278047.html (accessed 17:49, Jun 1, 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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