Try beta.chemspider
- 8 of 8 defined stereocentres
1-{[(3R,6S,9S,12S,15S)-6-(2-Amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-2-butanyl]-15-(4-hydroxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}-D-prolyl-4-m ethyl-L-leucylglycinamide
C[C@@H](CC)[C@@H]1NC(=O)[C@H](CC2C=CC(O)=CC=2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC(C)(C)C)C(=O)NCC(N)=O
InChI=1S/C45H69N11O12S/c1-6-24(2)37-43(67)51-27(15-16-33(46)58)39(63)52-29(20-34(47)59)40(64)54-31(23-69-18-8-10-36(61)50-28(41(65)55-37)19-25-11-13-26(57)14-12-25)44(68)56-17-7-9-32(56)42(66)53-30(21-45(3,4)5)38(62)49-22-35(48)60/h11-14,24,27-32,37,57H,6-10,15-23H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,61)(H,51,67)(H,52,63)(H,53,66)(H,54,64)(H,55,65)/t24-,27-,28-,29-,30-,31-,32+,37-/m0/s1
XVSGXONVJHRWBK-DRPZOWCTSA-N
CSID:129181010, http://www.chemspider.com/Chemical-Structure.129181010.html (accessed 21:46, Apr 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
Advertisement
Spotlight