Search MNXref
 Feedback

LSM-10209

PropertiesImage
MNX_IDMNXM528081 Image of MNXM528081
referencechebi:98830
formulaC31H37N3O5
global charge0
mol weight531.653
InChIKeyONXKQUJAHGZTDG-IHMCZWCLSA-N
InChIInChI=1S/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-39-29(21)18-33(3)31(37)32-27-15-9-10-16-28(27)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29+/m0/s1
SMILESCOC1=CC=CC=C1NC(=O)N(C)C[C@H]1OCC2=CC=CC=C2C2=CC=CC=C2C(=O)N([C@@H](C)CO)C[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C31H37N3O5/c1-21-17-34(22(2)19-35)30(36)26-14-8-7-13-25(26)24-12-6-5-11-23(24)20-39-29(21)18-33(3)31(37)32-27-15-9-10-16-28(27)38-4/h5-16,21-22,29,35H,17-20H2,1-4H3,(H,32,37)/t21-,22-,29+/m0/s1 Image of MNXM528081
SMILES (mnx)[CH3:1][C@H:21]1[CH2:17][N:34]([C@@H:22]([CH3:2])[CH2:19][OH:35])[C:30](=[O:36])[C:26]2=[CH:14][CH:8]=[CH:7][CH:13]=[C:25]2[C:24]2=[CH:12][CH:6]=[CH:5][CH:11]=[C:23]2[CH2:20][O:39][C@@H:29]1[CH2:18][N:33]([CH3:3])[C:31](=[N:32][C:27]1=[CH:15][CH:9]=[CH:10][CH:16]=[C:28]1[O:38][CH3:4])[OH:37]
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:98830
chebi:98830
ONXKQUJAHGZTDG-IHMCZWCLSA-N 		LSM-10209