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LSM-12947

PropertiesImage
MNX_IDMNXM528556 Image of MNXM528556
referencechebi:101584
formulaC23H31N3O5
global charge0
mol weight429.517
InChIKeyWNHZFTQVONQUSH-QOJCHSLYSA-N
InChIInChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19-,20+/m1/s1
SMILESCO[C@@H]1CC[C@@H]2CCOC3=C(C#N)C=CC=C3C(=O)N(C)C[C@@H](C)C(=O)N(C)C[C@@H]1O2
MNX internals
InChI (mnx)InChI=1/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19-,20+/m1/s1 Image of MNXM528556
SMILES (mnx)[CH3:1][C@@H:15]1[CH2:13][N:25]([CH3:2])[C:23](=[O:28])[C:18]2=[CH:7][CH:5]=[CH:6][C:16]([C:12]#[N:24])=[C:21]2[O:30][CH2:11][CH2:10][C@H:17]2[CH2:8][CH2:9][C@@H:19]([O:29][CH3:4])[C@H:20]([CH2:14][N:26]([CH3:3])[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:101584
chebi:101584
WNHZFTQVONQUSH-QOJCHSLYSA-N 		LSM-12947