Try beta.chemspider
- 1 of 15 defined stereocentres
L-Prolylglutaminyl-N-[12-(3-aminopropyl)-3-sec-butyl-21-(2-carboxyethyl)-29-hydroxy-6,15-bis(4-hydroxybenzyl)-18-(1-hydroxyethyl)-24-isopropyl-9-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
CC(C)C1NC(=O)C(CC(O)COC(=O)C(NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(C)NC(=O)C(CCCN)NC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(NC(=O)C(CCC(O)=O)NC1=O)C(C)O)C(C)CC)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CCC(N)=O)NC(=O)[C@@H]1CCCN1
InChI=1S/C70H100N14O21/c1-7-36(4)57-70(104)105-34-45(89)33-53(80-65(99)50(30-39-12-18-42(86)19-13-39)79-62(96)48(24-26-54(72)90)76-60(94)46-11-9-29-73-46)67(101)82-56(35(2)3)68(102)77-49(25-27-55(91)92)63(97)84-58(38(6)85)69(103)81-51(31-40-14-20-43(87)21-15-40)64(98)75-47(10-8-28-71)61(95)74-37(5)59(93)78-52(66(100)83-57)32-41-16-22-44(88)23-17-41/h12-23,35-38,45-53,56-58,73,85-89H,7-11,24-34,71H2,1-6H3,(H2,72,90)(H,74,95)(H,75,98)(H,76,94)(H,77,102)(H,78,93)(H,79,96)(H,80,99)(H,81,103)(H,82,101)(H,83,100)(H,84,97)(H,91,92)/t36?,37?,38?,45?,46-,47?,48?,49?,50?,51?,52?,53?,56?,57?,58?/m0/s1
KWUUIADMVWGVAO-OULBAFNQSA-N
CSID:78445761, http://www.chemspider.com/Chemical-Structure.78445761.html (accessed 03:34, Jul 4, 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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