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LSM-10937

PropertiesImage
MNX_IDMNXM528208 Image of MNXM528208
referencechebi:99558
formulaC26H29N3O4
global charge0
mol weight447.535
InChIKeyWBLJESZVKDDCFM-WOLFRULKSA-N
InChIInChI=1S/C26H29N3O4/c30-14-19-21-13-28-20(6-3-7-22(28)31)25(29(21)23(32)10-15-8-9-15)24(19)26(33)27-18-11-16-4-1-2-5-17(16)12-18/h1-7,15,18-19,21,24-25,30H,8-14H2,(H,27,33)/t19-,21-,24+,25+/m1/s1
SMILESO=C(NC1CC2=CC=CC=C2C1)[C@H]1[C@H](CO)[C@H]2CN3C(=O)C=CC=C3[C@@H]1N2C(=O)CC1CC1
MNX internals
InChI (mnx)InChI=1/C26H29N3O4/c30-14-19-21-13-28-20(6-3-7-22(28)31)25(29(21)23(32)10-15-8-9-15)24(19)26(33)27-18-11-16-4-1-2-5-17(16)12-18/h1-7,15,18-19,21,24-25,30H,8-14H2,(H,27,33)/t19-,21-,24+,25+/m1/s1 Image of MNXM528208
SMILES (mnx)[CH:1]1=[CH:2][CH:5]=[C:17]2[CH2:12][CH:18]([N:27]=[C:26]([C@H:24]3[C@H:19]([CH2:14][OH:30])[C@H:21]4[CH2:13][N:28]5[C:20](=[CH:6][CH:3]=[CH:7][C:22]5=[O:31])[C@@H:25]3[N:29]4[C:23]([CH2:10][CH:15]3[CH2:8][CH2:9]3)=[O:32])[OH:33])[CH2:11][C:16]2=[CH:4]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:99558
chebi:99558
WBLJESZVKDDCFM-WOLFRULKSA-N 		LSM-10937