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LSM-10632

PropertiesImage
MNX_IDMNXM528155 Image of MNXM528155
referencechebi:99253
formulaC29H35N3O5
global charge0
mol weight505.615
InChIKeyDIIJYNJFSHJSFY-IHBRBHLJSA-N
InChIInChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25+,26+/m0/s1
SMILESCO[C@@H]1CC[C@H]2CCOC3=C(C#N)C=CC=C3C(=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/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23-,25+,26+/m0/s1 Image of MNXM528155
SMILES (mnx)[CH3:1][N:31]1[CH2:19][C@@H:26]2[C@H:25]([O:35][CH3:3])[CH2:13][CH2:12][C@@H:23]([CH2:14][CH2:15][O:36][C:28]3=[C:21]([C:17]#[N:30])[CH:10]=[CH:7][CH:11]=[C:24]3[C:29](=[O:34])[N:32]([CH3:2])[CH2:18][C@@H:22]([C:20]3=[CH:8][CH:5]=[CH:4][CH:6]=[CH:9]3)[CH2:16][C:27]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:99253
chebi:99253
DIIJYNJFSHJSFY-IHBRBHLJSA-N 		LSM-10632