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LSM-13668

PropertiesImage
MNX_IDMNXM528689 Image of MNXM528689
referencechebi:102315
formulaC27H30N2O5
global charge0
mol weight462.546
InChIKeySPQKGDIXEATJCL-CJTFWIGWSA-N
InChIInChI=1S/C27H30N2O5/c1-34-27(33)24-21(16-30)20-15-28-22(23(20)29(24)26(32)18-9-5-6-10-18)14-13-19(25(28)31)12-11-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20-21,23-24,30H,5-6,9-10,15-16H2,1H3/t20-,21-,23+,24-/m1/s1
SMILESCOC(=O)[C@H]1[C@H](CO)[C@H]2CN3C(=O)C(C=CC4=CC=CC=C4)=CC=C3[C@H]2N1C(=O)C1CCCC1
MNX internals
InChI (mnx)InChI=1/C27H30N2O5/c1-34-27(33)24-21(16-30)20-15-28-22(23(20)29(24)26(32)18-9-5-6-10-18)14-13-19(25(28)31)12-11-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20-21,23-24,30H,5-6,9-10,15-16H2,1H3/b12-11?/t20-,21-,23+,24-/m1/s1 Image of MNXM528689
SMILES (mnx)[CH3:1][O:34][C:27]([C@H:24]1[C@H:21]([CH2:16][OH:30])[C@H:20]2[CH2:15][N:28]3[C:22](=[CH:14][CH:13]=[C:19]([CH:12]=[CH:11][C:17]4=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]4)[C:25]3=[O:31])[C@H:23]2[N:29]1[C:26]([CH:18]1[CH2:9][CH2:5][CH2:6][CH2:10]1)=[O:32])=[O:33]
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:102315
chebi:102315
SPQKGDIXEATJCL-CJTFWIGWSA-N 		LSM-13668