Try beta.chemspider
- Charge
- 8 of 8 defined stereocentres
(1E,2S,3S)-N-[(1R,2E)-2-[(1S,2E)-2-[[(3R)-6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-3-yl]imino]-2-hydroxy-1-(hydroxymethyl)ethyl]imino-2-hydroxy-1-(hydroxymethyl)ethyl]-2-[(E)-[(3R)-1,3-dihydroxy-4-[(4S,5S)-4-(hydroxymethyl)-2-(2-hydroxyphenyl)-4,5-dihydrooxazol-5-yl]butylidene]amino]-3-hydroxy-butanimidic acid
C[C@@H]([C@@H](/C(=N\[C@H](CO)/C(=N\[C@@H](CO)/C(=N\[C@@H]1Cc2cc(c(cc2[N+](C1)(C)C)O)O)/O)/O)/O)/N=C(\C[C@@H](C[C@H]3[C@@H](N=C(O3)c4ccccc4O)CO)O)/O)O
InChI=1S/C35H48N6O13/c1-17(45)31(40-30(50)11-20(46)10-29-22(14-42)39-35(54-29)21-6-4-5-7-26(21)47)34(53)38-24(16-44)33(52)37-23(15-43)32(51)36-19-8-18-9-27(48)28(49)12-25(18)41(2,3)13-19/h4-7,9,12,17,19-20,22-24,29,31,42-46H,8,10-11,13-16H2,1-3H3,(H6-,36,37,38,39,40,47,48,49,50,51,52,53)/p+1/t17-,19+,20+,22-,23-,24+,29-,31-/m0/s1
BXTHEZGZPKLTGV-HUESJRLDSA-O
CSID:21431233, http://www.chemspider.com/Chemical-Structure.21431233.html (accessed 01:48, Jul 4, 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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