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- Double-bond stereo
- 4 of 5 defined stereocentres
(2S,5R,6R)-6-[(Z)-(1-Hydroxy-2-phenoxyethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - (2Z,4S,4aS,5aS,6S)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydrox y({[4-(2-hydroxyethyl)-1-piperazinyl]methyl}amino)methylene]-6-methyl-4a,5a,6,12a-tetrahydro-1,3,12(2H,4H,5H)-tetracenetrione (1:1)
C[C@]1(c2cccc(c2C(=C3[C@@H]1C[C@H]4[C@@H](C(=O)/C(=C(\NCN5CCN(CC5)CCO)/O)/C(=O)C4(C3=O)O)N(C)C)O)O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)/N=C(/COc3ccccc3)\O)C(=O)O)C
InChI=1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,30,34-36,40-42H,7-14H2,1-3H3;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/b27-21-;/t16-,17-,22-,28+,29?;11-,12+,14-/m01/s1
AEHQQAHTGCVTMF-GKUCZMGLSA-N
CSID:58817235, http://www.chemspider.com/Chemical-Structure.58817235.html (accessed 15:16, May 23, 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
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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