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LSM-42016

PropertiesImage
MNX_IDMNXM530343 Image of MNXM530343
referencechebi:130467
formulaC27H30N2O4
global charge0
mol weight446.547
InChIKeyPOYXIPLFSJWUBD-KYPHJKQUSA-N
InChIInChI=1S/C27H30N2O4/c30-18-24-26(21-10-8-20(9-11-21)7-6-19-4-2-1-3-5-19)23-16-28(17-25(31)29(23)24)27(32)22-12-14-33-15-13-22/h1-11,22-24,26,30H,12-18H2/t23-,24-,26+/m0/s1
SMILESO=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](C3=CC=C(C=CC4=CC=CC=C4)C=C3)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C27H30N2O4/c30-18-24-26(21-10-8-20(9-11-21)7-6-19-4-2-1-3-5-19)23-16-28(17-25(31)29(23)24)27(32)22-12-14-33-15-13-22/h1-11,22-24,26,30H,12-18H2/b7-6?/t23-,24-,26+/m0/s1 Image of MNXM530343
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:19]([CH:6]=[CH:7][C:20]2=[CH:9][CH:11]=[C:21]([C@@H:26]3[C@@H:23]4[CH2:16][N:28]([C:27]([CH:22]5[CH2:12][CH2:14][O:33][CH2:15][CH2:13]5)=[O:32])[CH2:17][C:25](=[O:31])[N:29]4[C@H:24]3[CH2:18][OH:30])[CH:10]=[CH:8]2)[CH:5]=[CH:3]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:130467
chebi:130467
POYXIPLFSJWUBD-KYPHJKQUSA-N 		LSM-42016