- 7 of 7 defined stereocentres
N-({(1R,9S,12R,15S,18R)-12-(2-Amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-18-[(2S)-2-butanyl]-3,11,14,17,20-pentaoxo-3',4'-dihydro-1'H-spiro[6,7-dithia-2,10,13,16,19-pentaazacycloicosane-1,2'-naphthale n]-9-yl}carbonyl)-N-methylglycyl-L-arginylglycinamide
CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CSSCCC(=O)N[C@@]2(CCc3ccccc3C2)C(=O)N1)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44)58)37(64)53-28(18-31(45)59)38(65)54-29(40(67)57(3)21-34(62)51-26(10-7-16-49-42(47)48)36(63)50-20-32(46)60)22-70-69-17-14-33(61)56-43(41(68)55-35)15-13-24-8-5-6-9-25(24)19-43/h5-6,8-9,23,26-29,35H,4,7,10-22H2,1-3H3,(H2,44,58)(H2,45,59)(H2,46,60)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H,55,68)(H,56,61)(H4,47,48,49)/t23-,26-,27-,28+,29+,35+,43+/m0/s1
LWXMEDXFGOLDEE-CBTNKBIDSA-N
CSID:28511799, http://www.chemspider.com/Chemical-Structure.28511799.html (accessed 17:24, 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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