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ketoazM28

PropertiesImage
MNX_IDMNXM1595051 Image of MNXM1595051
referencevmhM:ketoazM28
vmhM:ketoazM28
formulaC24H28Cl2N4O6
global charge0
mol weight539.416
InChIKeyRYGVGCVLMMBIIE-UHFFFAOYSA-N
InChIInChI=1S/C24H28Cl2N4O6/c1-16(31)29-8-10-30(11-9-29)18-3-5-19(6-4-18)35-13-22(23(32)33)36-24(34,14-28-15-27)20-7-2-17(25)12-21(20)26/h2-7,12,15,22,34H,8-11,13-14H2,1H3,(H2,27,28)(H,32,33)
SMILES[H]/N=C/[NH2+]CC(O)(OC(COc1ccc(N2CCN(C(C)=O)CC2)cc1)C(=O)[O-])c1ccc(Cl)cc1Cl
MNX internals
InChI (mnx)InChI=1/C24H28Cl2N4O6/c1-16(31)29-8-10-30(11-9-29)18-3-5-19(6-4-18)35-13-22(23(32)33)36-24(34,14-28-15-27)20-7-2-17(25)12-21(20)26/h2-7,12,15,22,34H,8-11,13-14H2,1H3,(H2,27,28)(H,32,33)/t22?,24? Image of MNXM1595051
SMILES (mnx)[H]/[N:27]=[CH:15]/[NH:28][CH2:14][C:24]([c:20]1[cH:7][cH:2][c:17]([Cl:25])[cH:12][c:21]1[Cl:26])([OH:34])[O:36][CH:22]([CH2:13][O:35][c:19]1[cH:5][cH:3][c:18]([N:30]2[CH2:10][CH2:8][N:29]([C:16]([CH3:1])=[O:31])[CH2:9][CH2:11]2)[cH:4][cH:6]1)[C:23](=[O:32])[OH:33]
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:ketoazM28
vmhM:ketoazM28
vmhmetabolite:ketoazM28
vmhmetabolite:ketoazM28
RYGVGCVLMMBIIE-UHFFFAOYSA-N 		ketoazM28

vmhM:M_ketoazM28 		secondary/obsolete/fantasy identifier