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- 12 of 15 defined stereocentres
N-{[2-(1-Amino-2-methylbutyl)-4,5-dihydro-1,3-thiazol-4-yl]carbonyl}leucyl-D-alpha-glutamyl-N-[(2S,5R,8S,11R,14S,17R,20S)-2-(2-amino-2-oxoethyl)-17-(3-aminopropyl)-11-benzyl-14-[(2S)-2-butanyl]-5-(car boxymethyl)-2-formyl-8-(1H-imidazol-5-ylmethyl)-4,7,10,13,16,19-hexaoxo-1,3,6,9,12,15,18-heptaazacyclotetracosan-20-yl]-L-isoleucinamide
CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@](NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)(CC(=O)N)C=O)CC(=O)O)Cc3cnc[nH]3)Cc4ccccc4
InChI=1S/C66H103N17O16S/c1-9-36(6)52(69)65-80-48(32-100-65)61(96)76-44(26-35(4)5)58(93)74-43(22-23-50(86)87)57(92)82-53(37(7)10-2)63(98)75-41-20-15-16-25-72-66(33-84,30-49(68)85)83-62(97)47(29-51(88)89)78-60(95)46(28-40-31-70-34-71-40)77-59(94)45(27-39-18-13-12-14-19-39)79-64(99)54(38(8)11-3)81-56(91)42(21-17-24-67)73-55(41)90/h12-14,18-19,31,33-38,41-48,52-54,72H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,85)(H,70,71)(H,73,90)(H,74,93)(H,75,98)(H,76,96)(H,77,94)(H,78,95)(H,79,99)(H,81,91)(H,82,92)(H,83,97)(H,86,87)(H,88,89)/t36?,37-,38-,41-,42+,43+,44-,45+,46-,47+,48?,52?,53-,54-,66-/m0/s1
OUMOXJINHBHDCO-PRTBRCPHSA-N
CSID:32697240, http://www.chemspider.com/Chemical-Structure.32697240.html (accessed 18:26, May 21, 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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