Try beta.chemspider
- 17 of 17 defined stereocentres
N-Methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N~2~-[(3S,6S,9S,12R,13S)-3-[(2S)-2-butanyl]-6-{[(4S)-2-imino-4-imidazolidinyl]methyl}-9,13-dimethyl-2,5,8,11-tetrao xo-1-oxa-4,7,10-triazacyclotridecan-12-yl]-L-serinamide
CN[C@H](CC1C=CC=CC=1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N([C@@H]1[C@H](C)OC(=O)[C@@H](NC(=O)[C@H](C[C@H]2CNC(=N)N2)NC(=O)[C@H](C)NC1=O)[C@@H](C)CC)[C@@H](CO)C(N)=O
InChI=1S/C58H95N15O15/c1-12-28(5)42(70-50(80)37(62-11)23-34-19-17-16-18-20-34)53(83)68-39(26-74)52(82)66-36(21-22-41(59)76)49(79)69-43(29(6)13-2)54(84)71-44(30(7)14-3)56(86)73(40(27-75)47(60)77)46-33(10)88-57(87)45(31(8)15-4)72-51(81)38(24-35-25-63-58(61)65-35)67-48(78)32(9)64-55(46)85/h16-20,28-33,35-40,42-46,62,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H2,60,77)(H,64,85)(H,66,82)(H,67,78)(H,68,83)(H,69,79)(H,70,80)(H,71,84)(H,72,81)(H3,61,63,65)/t28-,29-,30-,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43+,44-,45-,46+/m0/s1
AAQMIKVUNJPELN-VEYUAGABSA-N
CSID:115015228, http://www.chemspider.com/Chemical-Structure.115015228.html (accessed 14:46, Apr 25, 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