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LSM-13983

PropertiesImage
MNX_IDMNXM528743 Image of MNXM528743
referencechebi:102636
formulaC25H32N2O4
global charge0
mol weight424.541
InChIKeyPBZGESVUNIXUSB-LLJLJFOGSA-N
InChIInChI=1S/C25H32N2O4/c1-17-13-27(18(2)15-28)25(30)23-12-8-7-11-22(23)21-10-6-5-9-20(21)16-31-24(17)14-26(4)19(3)29/h5-12,17-18,24,28H,13-16H2,1-4H3/t17-,18-,24+/m0/s1
SMILESCC(=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/C25H32N2O4/c1-17-13-27(18(2)15-28)25(30)23-12-8-7-11-22(23)21-10-6-5-9-20(21)16-31-24(17)14-26(4)19(3)29/h5-12,17-18,24,28H,13-16H2,1-4H3/t17-,18-,24+/m0/s1 Image of MNXM528743
SMILES (mnx)[CH3:1][C@H:17]1[CH2:13][N:27]([C@@H:18]([CH3:2])[CH2:15][OH:28])[C:25](=[O:30])[C:23]2=[CH:12][CH:8]=[CH:7][CH:11]=[C:22]2[C:21]2=[CH:10][CH:6]=[CH:5][CH:9]=[C:20]2[CH2:16][O:31][C@@H:24]1[CH2:14][N:26]([CH3:4])[C:19]([CH3:3])=[O:29]
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:102636
chebi:102636
PBZGESVUNIXUSB-LLJLJFOGSA-N 		LSM-13983