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LSM-12466

PropertiesImage
MNX_IDMNXM528484 Image of MNXM528484
referencechebi:131208
formulaC32H36N4O4
global charge0
mol weight540.664
InChIKeyBXWHKXPVJGEBOL-WENCSYSZSA-N
InChIInChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C1=CC=NC=C1)C1=CC=CC=C1N2C
MNX internals
InChI (mnx)InChI=1/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m1/s1 Image of MNXM528484
SMILES (mnx)[CH3:1][C@@H:21]1[CH2:17][N:36]([C@@H:22]([CH3:2])[CH2:19][OH:37])[C:32](=[O:39])[C:30]2=[C:29]([C:25]3=[CH:10][CH:6]=[CH:5][CH:9]=[C:24]3[CH2:20][O:40][C@H:28]1[CH2:18][N:34]([CH3:3])[C:31]([C:23]1=[CH:14][CH:16]=[N:33][CH:15]=[CH:13]1)=[O:38])[C:26]1=[CH:11][CH:7]=[CH:8][CH:12]=[C:27]1[N:35]2[CH3:4]
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:131208
chebi:131208
BXWHKXPVJGEBOL-WENCSYSZSA-N 		LSM-12466