Try beta.chemspider
- Charge
- 13 of 14 defined stereocentres
methyl-[(1R,2S,3S,4Z,7R,8S,9Z,13S,14Z,17R,18R,19R)-2,7,18-tris(2-amino-2-oxo-ethyl)-3,8,13-tris(3-amino-3-oxo-propyl)-17-[3-[2-[[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-oxido-phosphoryl]oxypropylamino]-3-oxo-propyl]-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-yl]cobalt(1+)
CC1(C)[C@H](CCC(N)=O)C2N=C1C=C1N=C(C(C)=C3[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@](C)([C@@H]4N=C(C=2C)[C@](C)(CCC(=O)NCC(C)OP([O-])(=O)O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]2O)N2C=NC5C=C(C)C(C)=CC2=5)[C@H]4CC(N)=O)N3[Co+]C)[C@](C)(CC(N)=O)[C@@H]1CCC(N)=O |c:13,t:18,37|
InChI=1S/C62H90N13O14P.CH3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3;/q;;+2/p-2/t31?,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60-,61+,62+;;/m1../s1
JEWJRMKHSMTXPP-SOBMITTLSA-L
CSID:114812347, http://www.chemspider.com/Chemical-Structure.114812347.html (accessed 11:12, Apr 29, 2024)
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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