MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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SRS16-86

	Properties	Image
MNX_ID	MNXM1129344
reference	chebi:173096
formula	C₂₆H₃₂N₄O₂
global charge	0
mol weight	432.568
InChIKey	DFENTOUMMDWZAF-FDVSRXAVSA-N
InChI	InChI=1S/C26H32N4O2/c1-25(2,3)32-24(31)21-4-5-22(23(9-21)29-15-20-13-27-16-28-14-20)30-26-10-17-6-18(11-26)8-19(7-17)12-26/h4-5,9,13-19,30H,6-8,10-12H2,1-3H3/b29-15-
SMILES	CC(C)(C)OC(=O)C1=CC=C(NC23CC4CC(CC(C4)C2)C3)C(/N=C\C2=CN=CN=C2)=C1

MNX internals

InChI (mnx)	InChI=1/C26H32N4O2/c1-25(2,3)32-24(31)21-4-5-22(23(9-21)29-15-20-13-27-16-28-14-20)30-26-10-17-6-18(11-26)8-19(7-17)12-26/h4-5,9,13-19,30H,6-8,10-12H2,1-3H3/b29-15-/t17?,18?,19?,26?
SMILES (mnx)	[CH3:1][C:25]([CH3:2])([CH3:3])[O:32][C:24]([C:21]1=[CH:9][C:23](/[N:29]=[CH:15]\[C:20]2=[CH:13][N:27]=[CH:16][N:28]=[CH:14]2)=[C:22]([NH:30][C:26]23[CH2:10][CH:17]4[CH2:6][CH:18]([CH2:8][CH:19]([CH2:7]4)[CH2:12]2)[CH2:11]3)[CH:5]=[CH:4]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
Identifier	Description
CHEBI:173096 chebi:173096 DFENTOUMMDWZAF-FDVSRXAVSA-N	SRS16-86 3-[(Z)-(5-pyrimidinylmethylene)amino]-4-(tricyclo[3.3.1.1(3,7)]dec-1-ylamino)-benzoic acid 1,1-dimethylethyl ester SRS 16-86 tert-butyl 3-[(Z)-(pyrimidin-5-ylmethylidene)amino]-4-(tricyclo[3.3.1.1(3,7)]decan-1-ylamino)benzoate tert-butyl 4-[(adamantan-1-yl)amino]-3-{(Z)-[(pyrimidin-5-yl)methylidene]amino}benzoate