Trapoxin A

(3S,6S,9S,12R)-3,6-dibenzyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Also Known As: trapoxin A|trapoxin|trapoxinA|Boc-Ise-OMe|RF 1023A|RF1023A|RF-1023A|Cyclo((S)-phenylalanyl-(S)-phenylalanyl-(R)-pipecolinyl-(2S,9S)-2-amino-8-oxo-9,10-epoxydecanoyl)|4-(3-Bromo-4-methoxyphenyl)but-3-en-2-one|(3S,6S,9S,12R)-3,6-dibenzyl-9-[6-[(2S)-oxiran-2-yl]-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone|1-(4-METHOXYPHENYL)-3,6-DIHYDRO-2H-PYRIDINE|Cyclo((S)-gamma-oxo-L-alpha-aminooxiraneoctanoyl-L-phenylalanyl-L-phenylalanyl-D-2-piperidinecarbonyl)|Cyclo[(alphaS,2S)-alpha-amino-eta-oxo-2-oxiraneoctanoyl-L-phenylalanyl-L-phenylalanyl-(2R)-2-piperidinecarbonyl]|Cyclo[L-Phe-L-Phe-D-Hpr-6-[2-[(S)-oxiranyl]-2-oxoethyl]-L-Nle-]|Cyclo(L-phenylalanyl-L-phenylalanyl-D-pipecolinyl-L-2-amino-8-oxo-9,10-epoxy-decanoyl)|(3S,6S,9S,12R)-3,6-dibenzyl-9-(6-((2S)-oxiran-2-yl)-6-oxohexyl)-1,4,7,10-tetrazabicyclo(10.4.0)hexadecane-2,5,8,11-tetrone|(3S,6S,9S,15aR)-6,9-Dibenzyl-1,4,7-trihydroxy-3-{6-[(2S)-oxiran-2-yl]-6-oxohexyl}-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one|(3S,6S,9S,15aR)-6,9-dibenzyl-3-{6-[(2S)-oxiran-2-yl]-6-oxohexyl}-tetradecahydro-1H-pyrido[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone|(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|(4aR,7S,10S,13S)-10,13-Dibenzyl-7-[6-oxo-6-[(S)-oxiranyl]hexyl]-1,2,3,4,9,10-hexahydro-4aH-6,9,12,14a-tetraazabenzocyclododecene-5,8,11,14(6H,7H,12H,13H)-tetrone|6,9-Dibenzyl-1,4,7-trihydroxy-3-[6-(oxiran-2-yl)-6-oxohexyl]-3,6,9,12,13,14,15,15a-octahydro-10H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecin-10-one|Cyclo[(|AS,2S)-|A-amino-|C-oxo-2-oxiraneoctanoyl-L-phenylalanyl-L-phenylalanyl-(2R)-2-piperidinecarbonyl]

Molecular Formula	C34H42N4O6
Molecular Weight	602.3104 g/mol
LogP	2.24
Topological Polar Surface Area	137.21 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	11
Exact Mass	602.3104
Heavy Atoms	44
Complexity	1315.6

Chemical Identifiers

CAS Number	133155-89-2
SMILES	C1CCN2[C@H](C1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCCC(=O)[C@@H]5CO5