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LSM-10301

PropertiesImage
MNX_IDMNXM528095 Image of MNXM528095
referencechebi:98922
formulaC32H38N4O5
global charge0
mol weight558.679
InChIKeyLBGXIXNVJUEMSO-ASHZAFPQSA-N
InChIInChI=1S/C32H38N4O5/c1-19-15-36(20(2)17-37)32(39)30-29(25-13-9-10-14-26(25)35(30)6)24-12-8-7-11-23(24)18-40-27(19)16-34(5)31(38)28-21(3)33-41-22(28)4/h7-14,19-20,27,37H,15-18H2,1-6H3/t19-,20+,27+/m0/s1
SMILESCC1=NOC(C)=C1C(=O)N(C)C[C@H]1OCC2=CC=CC=C2C2=C(C(=O)N([C@H](C)CO)C[C@@H]1C)N(C)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C32H38N4O5/c1-19-15-36(20(2)17-37)32(39)30-29(25-13-9-10-14-26(25)35(30)6)24-12-8-7-11-23(24)18-40-27(19)16-34(5)31(38)28-21(3)33-41-22(28)4/h7-14,19-20,27,37H,15-18H2,1-6H3/t19-,20+,27+/m0/s1 Image of MNXM528095
SMILES (mnx)[CH3:1][C@H:19]1[CH2:15][N:36]([C@H:20]([CH3:2])[CH2:17][OH:37])[C:32](=[O:39])[C:30]2=[C:29]([C:24]3=[CH:12][CH:8]=[CH:7][CH:11]=[C:23]3[CH2:18][O:40][C@@H:27]1[CH2:16][N:34]([CH3:5])[C:31]([C:28]1=[C:22]([CH3:4])[O:41][N:33]=[C:21]1[CH3:3])=[O:38])[C:25]1=[CH:13][CH:9]=[CH:10][CH:14]=[C:26]1[N:35]2[CH3:6]
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:98922
chebi:98922
LBGXIXNVJUEMSO-ASHZAFPQSA-N 		LSM-10301