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ketoazM26

PropertiesImage
MNX_IDMNXM1595049 Image of MNXM1595049
referencevmhM:ketoazM26
vmhM:ketoazM26
formulaC26H30Cl2N4O5
global charge0
mol weight549.455
InChIKeyTVLSVQGGHXBXBV-UHFFFAOYSA-N
InChIInChI=1S/C26H30Cl2N4O5/c27-19-1-6-23(24(28)13-19)26(17-30-8-7-29-18-30)36-16-22(37-26)15-35-21-4-2-20(3-5-21)31-9-11-32(12-10-31)25(34)14-33/h1-8,13,18,22,25,33-34H,9-12,14-17H2
SMILESOCC(O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
MNX internals
InChI (mnx)InChI=1/C26H30Cl2N4O5/c27-19-1-6-23(24(28)13-19)26(17-30-8-7-29-18-30)36-16-22(37-26)15-35-21-4-2-20(3-5-21)31-9-11-32(12-10-31)25(34)14-33/h1-8,13,18,22,25,33-34H,9-12,14-17H2/t22?,25?,26? Image of MNXM1595049
SMILES (mnx)[cH:1]1[cH:6][c:23]([C:26]2([CH2:17][n:30]3[cH:8][cH:7][n:29][cH:18]3)[O:36][CH2:16][CH:22]([CH2:15][O:35][c:21]3[cH:4][cH:2][c:20]([N:31]4[CH2:9][CH2:11][N:32]([CH:25]([CH2:14][OH:33])[OH:34])[CH2:12][CH2:10]4)[cH:3][cH:5]3)[O:37]2)[c:24]([Cl:28])[cH:13][c:19]1[Cl:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:ketoazM26
vmhM:ketoazM26
vmhmetabolite:ketoazM26
vmhmetabolite:ketoazM26
TVLSVQGGHXBXBV-UHFFFAOYSA-N 		ketoazM26

vmhM:M_ketoazM26 		secondary/obsolete/fantasy identifier