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LSM-40930

PropertiesImage
MNX_IDMNXM530246 Image of MNXM530246
referencechebi:129379
formulaC23H31N3O5
global charge0
mol weight429.517
InChIKeyWOVPJXMLSNBLNW-IAECCPNBSA-N
InChIInChI=1S/C23H31N3O5/c1-15-13-26(3)23(28)18-11-16(12-24)5-7-19(18)30-14-21-20(29-4)8-6-17(31-21)9-10-25(2)22(15)27/h5,7,11,15,17,20-21H,6,8-10,13-14H2,1-4H3/t15-,17+,20+,21-/m0/s1
SMILESCO[C@@H]1CC[C@@H]2CCN(C)C(=O)[C@@H](C)CN(C)C(=O)C3=C(C=CC(C#N)=C3)OC[C@@H]1O2
MNX internals
InChI (mnx)InChI=1/C23H31N3O5/c1-15-13-26(3)23(28)18-11-16(12-24)5-7-19(18)30-14-21-20(29-4)8-6-17(31-21)9-10-25(2)22(15)27/h5,7,11,15,17,20-21H,6,8-10,13-14H2,1-4H3/t15-,17+,20+,21-/m0/s1 Image of MNXM530246
SMILES (mnx)[CH3:1][C@H:15]1[CH2:13][N:26]([CH3:3])[C:23](=[O:28])[C:18]2=[C:19]([CH:7]=[CH:5][C:16]([C:12]#[N:24])=[CH:11]2)[O:30][CH2:14][C@H:21]2[C@H:20]([O:29][CH3:4])[CH2:8][CH2:6][C@H:17]([CH2:9][CH2:10][N:25]([CH3:2])[C:22]1=[O:27])[O:31]2
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:129379
chebi:129379
WOVPJXMLSNBLNW-IAECCPNBSA-N 		LSM-40930