Search MNXref
 Feedback

LSM-14317

PropertiesImage
MNX_IDMNXM528800 Image of MNXM528800
referencechebi:102971
formulaC28H39N3O5
global charge0
mol weight497.636
InChIKeyNNLRSZHLKPFWRY-XWGVYQGASA-N
InChIInChI=1S/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23-,24-/m0/s1
SMILESCO[C@H]1CC[C@H]2CCOC3=C(C#N)C=CC=C3C(=O)N(C)CC3(CCCCC3)CC(=O)N(C)C[C@@H]1O2
MNX internals
InChI (mnx)InChI=1/C28H39N3O5/c1-30-18-24-23(34-3)11-10-21(36-24)12-15-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23-,24-/m0/s1 Image of MNXM528800
SMILES (mnx)[CH3:1][N:30]1[CH2:18][C@H:24]2[C@@H:23]([O:34][CH3:3])[CH2:11][CH2:10][C@@H:21]([CH2:12][CH2:15][O:35][C:26]3=[C:20]([C:17]#[N:29])[CH:8]=[CH:7][CH:9]=[C:22]3[C:27](=[O:33])[N:31]([CH3:2])[CH2:19][C:28]3([CH2:13][CH2:5][CH2:4][CH2:6][CH2:14]3)[CH2:16][C:25]1=[O:32])[O:36]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:102971
chebi:102971
NNLRSZHLKPFWRY-XWGVYQGASA-N 		LSM-14317