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LSM-12249

PropertiesImage
MNX_IDMNXM528442 Image of MNXM528442
referencechebi:100875
formulaC27H35N3O3
global charge0
mol weight449.595
InChIKeyWKBGSUAXJVLQSN-XLNZFTOWSA-N
InChIInChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19+,24+/m0/s1
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)OCC2=CC=CC=C2C2=C(C1=O)N(C)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19+,24+/m0/s1 Image of MNXM528442
SMILES (mnx)[CH3:1][C@H:18]1[CH2:14][N:30]([C@H:19]([CH3:2])[CH2:16][OH:31])[C:27](=[O:32])[C:26]2=[C:25]([C:21]3=[CH:11][CH:7]=[CH:6][CH:10]=[C:20]3[CH2:17][O:33][C@@H:24]1[CH2:15][N:28]([CH3:3])[CH3:4])[C:22]1=[CH:12][CH:8]=[CH:9][CH:13]=[C:23]1[N:29]2[CH3:5]
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:100875
chebi:100875
WKBGSUAXJVLQSN-XLNZFTOWSA-N 		LSM-12249