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nygerone A

PropertiesImage
MNX_IDMNXM107326 Image of MNXM107326
referencechebi:69408
formulaC24H22N2O5
global charge0
mol weight418.449
InChIKeyNTTJVIQCCNYXRP-INIZCTEOSA-N
InChIInChI=1S/C24H22N2O5/c1-16(24(30)31)12-22(28)25-23(29)20-15-26(18-10-6-3-7-11-18)19(14-21(20)27)13-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,30,31)(H,25,28,29)/t16-/m0/s1
SMILESC[C@@H](CC(=O)NC(=O)C1=CN(C2=CC=CC=C2)C(CC2=CC=CC=C2)=CC1=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C24H22N2O5/c1-16(24(30)31)12-22(28)25-23(29)20-15-26(18-10-6-3-7-11-18)19(14-21(20)27)13-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,30,31)(H,25,28,29)/t16-/m0/s1 Image of MNXM107326
SMILES (mnx)[CH3:1][C@@H:16]([CH2:12][C:22](=[N:25][C:23]([C:20]1=[CH:15][N:26]([C:18]2=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]2)[C:19]([CH2:13][C:17]2=[CH:8][CH:4]=[CH:2][CH:5]=[CH:9]2)=[CH:14][C:21]1=[O:27])=[O:29])[OH:28])[C:24](=[O:30])[OH: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:69408
chebi:69408
NTTJVIQCCNYXRP-INIZCTEOSA-N 		nygerone A
(2S)-4-{[(6-benzyl-4-oxo-1-phenyl-1,4-dihydropyridin-3-yl)carbonyl]amino}-2-methyl-4-oxobutanoic acid