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LSM-42484

PropertiesImage
MNX_IDMNXM530394 Image of MNXM530394
referencechebi:130936
formulaC22H32N2O4
global charge0
mol weight388.508
InChIKeyHKSWFDSECWATDS-KCZVDYSFSA-N
InChIInChI=1S/C22H32N2O4/c1-6-7-17-8-10-18(11-9-17)22-19(24(16(4)26)20(22)13-25)12-23(15(2)3)21(27)14-28-5/h6-11,15,19-20,22,25H,12-14H2,1-5H3/t19-,20-,22-/m1/s1
SMILESCC=CC1=CC=C([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(C(=O)COC)C(C)C)C=C1
MNX internals
InChI (mnx)InChI=1/C22H32N2O4/c1-6-7-17-8-10-18(11-9-17)22-19(24(16(4)26)20(22)13-25)12-23(15(2)3)21(27)14-28-5/h6-11,15,19-20,22,25H,12-14H2,1-5H3/b7-6?/t19-,20-,22-/m1/s1 Image of MNXM530394
SMILES (mnx)[CH3:1][CH:6]=[CH:7][C:17]1=[CH:9][CH:11]=[C:18]([C@@H:22]2[C@@H:19]([CH2:12][N:23]([CH:15]([CH3:2])[CH3:3])[C:21]([CH2:14][O:28][CH3:5])=[O:27])[N:24]([C:16]([CH3:4])=[O:26])[C@@H:20]2[CH2:13][OH:25])[CH:10]=[CH:8]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:130936
chebi:130936
HKSWFDSECWATDS-KCZVDYSFSA-N 		LSM-42484