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2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7S,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

MNXM40188 is deprecated and here replaced by MNXM735470
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735470 Image of MNXM735470
referencechebi:131148
formulaC62H86N12O16
global charge0
mol weight1255.438
InChIKeyRJURFGZVJUQBHK-GIUPLMLQSA-N
InChIInChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42+,43+,44-,45-,48-,49-/m0/s1
SMILESCC1=C2OC3=C(C)C(=O)C(N)=C(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)C3=NC2=C(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)C=C1
MNX internals
InChI (mnx)InChI=1/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36-,37-,42+,43+,44-,45-,48-,49-/m0/s1 Image of MNXM735470
SMILES (mnx)[CH3:1][CH:27]([CH3:2])[C@@H:42]1[C:59](=[O:84])[N:73]2[CH2:23][CH2:17][CH2:19][C@H:36]2[C:57](=[O:82])[N:69]([CH3:13])[CH2:25][C:38](=[O:75])[N:71]([CH3:15])[C@@H:48]([CH:29]([CH3:5])[CH3:6])[C:61](=[O:86])[O:88][C@@H:33]([CH3:11])[C@H:44]([N:67]=[C:53]([C:35]2=[C:46]3[C:51](=[C:31]([CH3:9])[CH:21]=[CH:22]2)[O:90][C:52]2=[C:32]([CH3:10])[C:50](=[O:77])[C:41]([NH2:63])=[C:40]([C:54](=[N:68][C@H:45]4[C@H:34]([CH3:12])[O:89][C:62](=[O:87])[C@H:49]([CH:30]([CH3:7])[CH3:8])[N:72]([CH3:16])[C:39](=[O:76])[CH2:26][N:70]([CH3:14])[C:58](=[O:83])[C@@H:37]5[CH2:20][CH2:18][CH2:24][N:74]5[C:60](=[O:85])[C@@H:43]([CH:28]([CH3:3])[CH3:4])[N:66]=[C:56]4[OH:81])[OH:79])[C:47]2=[N:64]3)[OH:78])[C:55]([OH:80])=[N:65]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:131148
chebi:131148
RJURFGZVJUQBHK-GIUPLMLQSA-N 		2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7S,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

CHEBI:125400
chebi:125400
RJURFGZVJUQBHK-UHFFFAOYSA-N 		2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide

lipidmaps:LMPK14000005
lipidmapsM:LMPK14000005
RJURFGZVJUQBHK-UHFFFAOYSA-N 		Actinomycin D

kegg.compound:C06770
keggC:C06770
RJURFGZVJUQBHK-UHFFFAOYSA-N 		Actinomycin D
Dactinomycin

kegg.drug:D00214
keggD:D00214
RJURFGZVJUQBHK-UHFFFAOYSA-N 		Dactinomycin (USP)
Actinomycin D (JP18)
Cosmegen (TN)
hmdb:HMDB0247983
RJURFGZVJUQBHK-UHFFFAOYSA-N 		actinomycin D
2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-3H-phenoxazine-1,9-dicarboxamide
Actinomycin
Cosmegen
Cosmegen lyovac
Dactinomycin
Lyovac cosmegen
Lyovac, cosmegen
Lyovac-cosmegen
LyovacCosmegen
Meractinomycin
dactinomycin

keggC:M_C06770
keggD:M_D00214 		secondary/obsolete/fantasy identifier