- 6 of 8 defined stereocentres
1-{[(4S,7R,13R,16S)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-N~5~-(diaminomet hylene)-L-ornithylglycinamide
CC(C1C(=O)N[C@@H](C(=O)N[C@H](CSSCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)C(=O)N4CCC[C@@H]4C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)O
InChI=1S/C45H63N13O12S2/c1-24(59)37-43(69)55-31(21-34(46)61)40(66)56-32(44(70)58-17-6-10-33(58)42(68)53-28(9-5-16-50-45(48)49)38(64)51-22-35(47)62)23-72-71-18-15-36(63)52-29(20-26-11-13-27(60)14-12-26)39(65)54-30(41(67)57-37)19-25-7-3-2-4-8-25/h2-4,7-8,11-14,24,28-33,37,59-60H,5-6,9-10,15-23H2,1H3,(H2,46,61)(H2,47,62)(H,51,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,67)(H4,48,49,50)/t24?,28-,29-,30+,31+,32+,33+,37?/m0/s1
CLIPIZUAVXBONL-GVTSKVGZSA-N
CSID:23168381, http://www.chemspider.com/Chemical-Structure.23168381.html (accessed 11:32, Mar 28, 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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