Try beta.chemspider
- 6 of 6 defined stereocentres
N,N'-{(1S,7R,11R,14S,20R,24R)-2,12,15,25-Tetramethyl-11,24-bis[(methylsulfanyl)methyl]-3,6,10,13,16,19,23,26-octaoxo-9,22,28,29-tetrathia-2,5,12,15,18,25-hexaazabicyclo[12.12.4]triacontane-7,20-diyl}b is(3-hydroxy-2-quinolinecarboxamide)
CSC[C@H]1N(C)C(=O)[C@H]2CSSC[C@@H](N(C)C(=O)CNC(=O)[C@H](CSC1=O)NC(=O)c1nc3ccccc3cc1O)C(=O)N(C)[C@H](CSC)C(=O)SC[C@H](NC(=O)c1nc3ccccc3cc1O)C(=O)NCC(=O)N2C CN1[C@@H]2CSSC[C@H](C(=O)N([C@@H](C(=O)SC[C@@H](C(=O)NCC1=O)NC(=O)c3c(cc4ccccc4n3)O)CSC)C)N(C(=O)CNC(=O)[C@H](CSC(=O)[C@H](N(C2=O)C)CSC)NC(=O)c5c(cc6ccccc6n5)O)C
InChI=1S/C48H56N10O12S6/c1-55-31-23-75-76-24-32(46(68)58(4)34(22-72-6)48(70)74-19-29(41(63)49-17-37(55)61)53-43(65)39-35(59)15-25-11-7-9-13-27(25)51-39)56(2)38(62)18-50-42(64)30(20-73-47(69)33(21-71-5)57(3)45(31)67)54-44(66)40-36(60)16-26-12-8-10-14-28(26)52-40/h7-16,29-34,59-60H,17-24H2,1-6H3,(H,49,63)(H,50,64)(H,53,65)(H,54,66)/t29-,30-,31+,32+,33+,34+/m0/s1
UPGGKUQISSWRJJ-XLTUSUNSSA-N
CSID:35518213, http://www.chemspider.com/Chemical-Structure.35518213.html (accessed 16:17, Jun 3, 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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