- 8 of 10 defined stereocentres
3-O-[(3Z,5S,6Z,8R,9Z,11S,12Z,14R)-5-(4-Amino-4-carboxybutyl)-2-carboxy-8-(2-carboxyethyl)-4,7,10,13-tetrahydroxy-11-methyl-3,6,9,12-tetraazapentadeca-3,6,9,12-tetraen-14-yl]-1,5-anhydro-2-deoxy-2-[(Z) -(1-hydroxyethylidene)amino]-D-glucitol
[H]C(N)(CCC[C@]([H])(N=C(O)[C@@]([H])(CCC(O)=O)N=C(O)[C@]([H])(C)N=C(O)[C@@]([H])(C)O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)OC[C@]1([H])N=C(C)O)C(O)=NC([H])(C)C(O)=O)C(O)=O C[C@@H](/C(=N/[C@H](CCC(=O)O)/C(=N/[C@@H](CCCC(C(=O)O)N)/C(=N/C(C)C(=O)O)/O)/O)/O)/N=C(/[C@@H](C)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)/N=C(/C)\O)\O
InChI=1S/C29H48N6O15/c1-12(31-25(42)14(3)50-23-19(33-15(4)37)11-49-20(10-36)22(23)40)24(41)34-18(8-9-21(38)39)27(44)35-17(7-5-6-16(30)29(47)48)26(43)32-13(2)28(45)46/h12-14,16-20,22-23,36,40H,5-11,30H2,1-4H3,(H,31,42)(H,32,43)(H,33,37)(H,34,41)(H,35,44)(H,38,39)(H,45,46)(H,47,48)/t12-,13?,14+,16?,17-,18+,19-,20+,22+,23+/m0/s1
OUWAMZWZTFUVMV-NPLPHQDTSA-N
CSID:59695452, http://www.chemspider.com/Chemical-Structure.59695452.html (accessed 21:04, Dec 9, 2023)
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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