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tryprostatin B

MNXM145099 is deprecated and replaced by MNXM1100309
PropertiesImage
MNX_IDMNXM1100309 Image of MNXM1100309
referencechebi:72760
formulaC21H25N3O2
global charge0
mol weight351.45
InChIKeyGLWYBXPXOSKQAW-OALUTQOASA-N
InChIInChI=1S/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25)/t18-,19-/m0/s1
SMILESCC(C)=CCC1=C(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C2=C(C=CC=C2)N1
MNX internals
InChI (mnx)InChI=1/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25)/t18-,19-/m0/s1 Image of MNXM1100309
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:9][CH2:10][C:17]1=[C:15]([CH2:12][C@H:18]2[C:21](=[O:26])[N:24]3[CH2:11][CH2:5][CH2:8][C@H:19]3[C:20]([OH:25])=[N:23]2)[C:14]2=[CH:6][CH:3]=[CH:4][CH:7]=[C:16]2[NH:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72760
chebi:72760
GLWYBXPXOSKQAW-OALUTQOASA-N 		tryprostatin B
(3S,8aS)-3-{[2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
triprostatin B

kegg.compound:C20512
keggC:C20512
GLWYBXPXOSKQAW-OALUTQOASA-N 		Tryprostatin B

seed.compound:cpd31155
seedM:cpd31155
GLWYBXPXOSKQAW-OALUTQOASA-N 		Tryprostatin B
tryprostatin B

metacyc.compound:CPD-15263
metacycM:CPD-15263
GLWYBXPXOSKQAW-OALUTQOASA-N 		tryprostatin B

keggC:M_C20512
seedM:M_cpd31155 		secondary/obsolete/fantasy identifier