Try beta.chemspider
- 8 of 8 defined stereocentres
N-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-N-meth yl-L-alanyl-L-leucylglycinamide
CC(C)C[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI=1S/C42H65N11O12S2/c1-7-22(4)35-41(64)48-26(12-13-31(43)55)38(61)50-29(18-32(44)56)39(62)51-30(42(65)53(6)23(5)36(59)49-27(16-21(2)3)37(60)46-19-33(45)57)20-67-66-15-14-34(58)47-28(40(63)52-35)17-24-8-10-25(54)11-9-24/h8-11,21-23,26-30,35,54H,7,12-20H2,1-6H3,(H2,43,55)(H2,44,56)(H2,45,57)(H,46,60)(H,47,58)(H,48,64)(H,49,59)(H,50,61)(H,51,62)(H,52,63)/t22-,23-,26-,27-,28-,29-,30-,35-/m0/s1
FUZICFVENMICDB-CEHLQORISA-N
CSID:76783299, http://www.chemspider.com/Chemical-Structure.76783299.html (accessed 02:15, Apr 26, 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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