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LSM-12950

PropertiesImage
MNX_IDMNXM528557 Image of MNXM528557
referencechebi:101587
formulaC27H34N2O4
global charge0
mol weight450.579
InChIKeyGOHLAUSVLSRLLT-OSWQYVSFSA-N
InChIInChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25+/m0/s1
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CC2)OCC2=CC=CC=C2C2=CC=CC=C2C1=O
MNX internals
InChI (mnx)InChI=1/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25+/m0/s1 Image of MNXM528557
SMILES (mnx)[CH3:1][C@H:18]1[CH2:14][N:29]([C@H:19]([CH3:2])[CH2:16][OH:30])[C:27](=[O:32])[C:24]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:23]2[C:22]2=[CH:9][CH:5]=[CH:4][CH:8]=[C:21]2[CH2:17][O:33][C@@H:25]1[CH2:15][N:28]([CH3:3])[C:26]([CH:20]1[CH2:12][CH2:13]1)=[O:31]
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:101587
chebi:101587
GOHLAUSVLSRLLT-OSWQYVSFSA-N 		LSM-12950