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LSM-25428

PropertiesImage
MNX_IDMNXM529259 Image of MNXM529259
referencechebi:113996
formulaC29H38N4O5
global charge0
mol weight522.646
InChIKeyIBJZSIVAOQZUGO-MCEYFSPLSA-N
InChIInChI=1S/C29H38N4O5/c1-21-17-33(22(2)20-34)29(36)25-15-24(10-9-23-7-5-4-6-8-23)16-30-28(25)38-26(21)18-31(3)27(35)19-32-11-13-37-14-12-32/h4-10,15-16,21-22,26,34H,11-14,17-20H2,1-3H3/t21-,22-,26-/m0/s1
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)C2=CC(C=CC3=CC=CC=C3)=CN=C2O[C@H]1CN(C)C(=O)CN1CCOCC1
MNX internals
InChI (mnx)InChI=1/C29H38N4O5/c1-21-17-33(22(2)20-34)29(36)25-15-24(10-9-23-7-5-4-6-8-23)16-30-28(25)38-26(21)18-31(3)27(35)19-32-11-13-37-14-12-32/h4-10,15-16,21-22,26,34H,11-14,17-20H2,1-3H3/b10-9?/t21-,22-,26-/m0/s1 Image of MNXM529259
SMILES (mnx)[CH3:1][C@H:21]1[CH2:17][N:33]([C@@H:22]([CH3:2])[CH2:20][OH:34])[C:29](=[O:36])[C:25]2=[C:28]([N:30]=[CH:16][C:24]([CH:10]=[CH:9][C:23]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)=[CH:15]2)[O:38][C@H:26]1[CH2:18][N:31]([CH3:3])[C:27]([CH2:19][N:32]1[CH2:11][CH2:13][O:37][CH2:14][CH2:12]1)=[O:35]
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:113996
chebi:113996
IBJZSIVAOQZUGO-MCEYFSPLSA-N 		LSM-25428