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trapoxin A

PropertiesImage
MNX_IDMNXM161780 Image of MNXM161780
referencechebi:84057
formulaC34H42N4O6
global charge0
mol weight602.732
InChIKeyGXVXXETYXSPSOA-UFEOFEBPSA-N
InChIInChI=1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30-/m0/s1
SMILESO=C1N[C@@H](CC2=CC=CC=C2)C(=O)N2CCCC[C@@H]2C(=O)N[C@@H](CCCCCC(=O)[C@@H]2CO2)C(=O)N[C@H]1CC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30-/m0/s1 Image of MNXM161780
SMILES (mnx)[CH:1]1=[CH:4][CH:12]=[C:23]([CH2:20][C@H:26]2[C:32]([OH:41])=[N:37][C@@H:27]([CH2:21][C:24]3=[CH:14][CH:6]=[CH:2][CH:7]=[CH:15]3)[C:34](=[O:43])[N:38]3[CH2:19][CH2:11][CH2:10][CH2:17][C@@H:28]3[C:33]([OH:42])=[N:35][C@@H:25]([CH2:16][CH2:8][CH2:3][CH2:9][CH2:18][C:29]([C@@H:30]3[CH2:22][O:44]3)=[O:39])[C:31]([OH:40])=[N:36]2)[CH:13]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84057
chebi:84057
GXVXXETYXSPSOA-UFEOFEBPSA-N 		trapoxin A
(3S,6S,9S,15aR)-6,9-dibenzyl-3-{6-[(2S)-oxiran-2-yl]-6-oxohexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone
Cyclo((S)-gamma-oxo-L-alpha-aminooxiraneoctanoyl-L-phenylalanyl-L-phenylalanyl-D-2-piperidinecarbonyl)
Cyclo((S)-phenylalanyl-(S)-phenylalanyl-(R)-pipecolinyl-(2S,9S)-2-amino-8-oxo-9,10-epoxydecanoyl)
RF 1023A