Try beta.chemspider
- 11 of 11 defined stereocentres
[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16,22-hexamethyl-15-methylene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methyl-propyl] (2S,3R)-3-hydroxy-4-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
O=C(N[C@H](C(=O)O[C@H](C(C)C)[C@H]1C(=O)N([C@H](C(=O)O[C@@H]([C@H](NC(=O)C)C(=O)O[C@@H](C(=O)N(/C(=C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1)C)C)C)Cc2ccccc2)C)[C@H](OC)C)C)[C@H](O)C(C)C)CSC
InChI=1S/C47H71N7O15S/c1-23(2)38(57)35(50-33(56)22-70-15)46(64)69-39(24(3)4)36-44(62)54(13)37(29(9)66-14)47(65)67-28(8)34(49-30(10)55)45(63)68-32(21-31-19-17-16-18-20-31)43(61)53(12)26(6)40(58)48-25(5)42(60)52(11)27(7)41(59)51-36/h16-20,23-25,27-29,32,34-39,57H,6,21-22H2,1-5,7-15H3,(H,48,58)(H,49,55)(H,50,56)(H,51,59)/t25-,27-,28+,29+,32+,34-,35-,36-,37-,38+,39+/m0/s1
ORHDNZASJAMTPD-JXBUMTBVSA-N
CSID:8504105, http://www.chemspider.com/Chemical-Structure.8504105.html (accessed 14:04, Jun 29, 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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