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LSM-13599

PropertiesImage
MNX_IDMNXM528675 Image of MNXM528675
referencechebi:102243
formulaC28H38N2O5
global charge0
mol weight482.621
InChIKeyBBROUNWBLSFMDY-ISJBWFOZSA-N
InChIInChI=1S/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21-,26+/m0/s1
SMILESCC(C)COC(=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/C28H38N2O5/c1-19(2)17-35-28(33)29(5)15-26-20(3)14-30(21(4)16-31)27(32)25-13-9-8-12-24(25)23-11-7-6-10-22(23)18-34-26/h6-13,19-21,26,31H,14-18H2,1-5H3/t20-,21-,26+/m0/s1 Image of MNXM528675
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH2:17][O:35][C:28]([N:29]([CH3:5])[CH2:15][C@@H:26]1[C@@H:20]([CH3:3])[CH2:14][N:30]([C@@H:21]([CH3:4])[CH2:16][OH:31])[C:27](=[O:32])[C:25]2=[CH:13][CH:9]=[CH:8][CH:12]=[C:24]2[C:23]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:22]2[CH2:18][O:34]1)=[O:33]
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:102243
chebi:102243
BBROUNWBLSFMDY-ISJBWFOZSA-N 		LSM-13599