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LSM-40560

PropertiesImage
MNX_IDMNXM530206 Image of MNXM530206
referencechebi:129008
formulaC29H35N3O5
global charge0
mol weight505.615
InChIKeyCIRYYAWURCKBQH-KEKSMWEKSA-N
InChIInChI=1S/C29H35N3O5/c1-31-19-27-26(35-3)12-10-23(37-27)13-14-36-25-11-9-20(17-30)15-24(25)29(34)32(2)18-22(16-28(31)33)21-7-5-4-6-8-21/h4-9,11,15,22-23,26-27H,10,12-14,16,18-19H2,1-3H3/t22-,23-,26+,27+/m0/s1
SMILESCO[C@@H]1CC[C@H]2CCOC3=C(C=C(C#N)C=C3)C(=O)N(C)C[C@@H](C3=CC=CC=C3)CC(=O)N(C)C[C@H]1O2
MNX internals
InChI (mnx)InChI=1/C29H35N3O5/c1-31-19-27-26(35-3)12-10-23(37-27)13-14-36-25-11-9-20(17-30)15-24(25)29(34)32(2)18-22(16-28(31)33)21-7-5-4-6-8-21/h4-9,11,15,22-23,26-27H,10,12-14,16,18-19H2,1-3H3/t22-,23-,26+,27+/m0/s1 Image of MNXM530206
SMILES (mnx)[CH3:1][N:31]1[CH2:19][C@@H:27]2[C@H:26]([O:35][CH3:3])[CH2:12][CH2:10][C@@H:23]([CH2:13][CH2:14][O:36][C:25]3=[C:24]([CH:15]=[C:20]([C:17]#[N:30])[CH:9]=[CH:11]3)[C:29](=[O:34])[N:32]([CH3:2])[CH2:18][C@@H:22]([C:21]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[CH2:16][C:28]1=[O:33])[O:37]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:129008
chebi:129008
CIRYYAWURCKBQH-KEKSMWEKSA-N 		LSM-40560