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- 1 of 15 defined stereocentres
L-Prolylglutaminyl-N-[12-(3-aminopropyl)-3-sec-butyl-21-(2-carboxyethyl)-9,29-dihydroxy-6,15-bis(4-hydroxybenzyl)-18-(1-hydroxyethyl)-24-methyl-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22 ,25-octaazacyclotriacontan-27-yl]tyrosinamide
CCC(C)C1NC(=O)C(CC2C=CC(O)=CC=2)NC(=O)C(O)NC(=O)C(CCCN)NC(=O)C(CC2C=CC(O)=CC=2)NC(=O)C(NC(=O)C(CCC(O)=O)NC(=O)C(C)NC(=O)C(CC(O)COC1=O)NC(=O)C(CC1C=CC(O)=CC=1)NC(=O)C(CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)O
InChI=1S/C67H94N14O22/c1-5-33(2)53-67(102)103-32-42(86)31-50(76-62(97)47(28-36-10-16-39(83)17-11-36)75-57(92)45(22-24-51(69)87)74-56(91)43-9-7-27-70-43)60(95)71-34(3)55(90)72-46(23-25-52(88)89)58(93)80-54(35(4)82)64(99)77-48(29-37-12-18-40(84)19-13-37)61(96)73-44(8-6-26-68)59(94)81-66(101)65(100)78-49(63(98)79-53)30-38-14-20-41(85)21-15-38/h10-21,33-35,42-50,53-54,66,70,82-86,101H,5-9,22-32,68H2,1-4H3,(H2,69,87)(H,71,95)(H,72,90)(H,73,96)(H,74,91)(H,75,92)(H,76,97)(H,77,99)(H,78,100)(H,79,98)(H,80,93)(H,81,94)(H,88,89)/t33?,34?,35?,42?,43-,44?,45?,46?,47?,48?,49?,50?,53?,54?,66?/m0/s1
NVQSOBYWDGPCAF-LMMNZZMASA-N
CSID:78445755, http://www.chemspider.com/Chemical-Structure.78445755.html (accessed 02:49, 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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