Try beta.chemspider
- 5 of 6 defined stereocentres
[(1S,4R,12S,18S,21S)-12-(4-Carbamimidamidobutyl)-4-carbamoyl-21-(1H-indol-3-ylmethyl)-2,10,13,16,19,22-hexaoxo-6,7-dithia-3,11,14,17,20,26-hexaazabicyclo[21.2.1]hexacos-18-yl]acetic acid
c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)C4CC[C@H](N4)C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)CC(=O)O)CCCCNC(=N)N)C(=O)N
InChI=1S/C35H49N11O9S2/c36-31(52)26-17-57-56-12-10-27(47)43-22(7-3-4-11-39-35(37)38)32(53)41-16-28(48)44-25(14-29(49)50)34(55)45-24(13-18-15-40-20-6-2-1-5-19(18)20)30(51)21-8-9-23(42-21)33(54)46-26/h1-2,5-6,15,21-26,40,42H,3-4,7-14,16-17H2,(H2,36,52)(H,41,53)(H,43,47)(H,44,48)(H,45,55)(H,46,54)(H,49,50)(H4,37,38,39)/t21?,22-,23-,24-,25-,26-/m0/s1
ZQCPUCTUKJDLEU-SYRMDSJNSA-N
CSID:23089432, http://www.chemspider.com/Chemical-Structure.23089432.html (accessed 05:17, Jun 1, 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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