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LSM-39431

PropertiesImage
MNX_IDMNXM530104 Image of MNXM530104
referencechebi:127875
formulaC22H31N3O3
global charge0
mol weight385.508
InChIKeyZSUGEGVLQGZVEF-XUVXKRRUSA-N
InChIInChI=1S/C22H31N3O3/c1-4-5-15-6-8-16(9-7-15)20-18(12-23-22(28)24-14(2)3)25(19(20)13-26)21(27)17-10-11-17/h4-9,14,17-20,26H,10-13H2,1-3H3,(H2,23,24,28)/t18-,19+,20+/m0/s1
SMILESCC=CC1=CC=C([C@H]2[C@@H](CO)N(C(=O)C3CC3)[C@H]2CNC(=O)NC(C)C)C=C1
MNX internals
InChI (mnx)InChI=1/C22H31N3O3/c1-4-5-15-6-8-16(9-7-15)20-18(12-23-22(28)24-14(2)3)25(19(20)13-26)21(27)17-10-11-17/h4-9,14,17-20,26H,10-13H2,1-3H3,(H2,23,24,28)/b5-4?/t18-,19+,20+/m0/s1 Image of MNXM530104
SMILES (mnx)[CH3:1][CH:4]=[CH:5][C:15]1=[CH:7][CH:9]=[C:16]([C@@H:20]2[C@H:18]([CH2:12][N:23]=[C:22]([NH:24][CH:14]([CH3:2])[CH3:3])[OH:28])[N:25]([C:21]([CH:17]3[CH2:10][CH2:11]3)=[O:27])[C@@H:19]2[CH2:13][OH:26])[CH:8]=[CH:6]1
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:127875
chebi:127875
ZSUGEGVLQGZVEF-XUVXKRRUSA-N 		LSM-39431