N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE (CHEBI:47632)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:47632 - N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:47632
ChEBI Name	N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE
Stars
Downloads	Molfile

Formula	C24H37N5O3S2
Net Charge	0
Average Mass	507.726
Monoisotopic Mass	507.23378
SMILES	[H]c1sc([H])c(C([H])([H])[C@]([H])(N([H])C(=O)c2c([H])c(N([H])C([H])([H])[C@@]3([H])C([H])([H])[C@]3([H])C([H])([H])[H])nc(N(C([H])([H])[H])S(=O)(=O)C([H])([H])[H])c2[H])[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c1[H]
InChI	InChI=1S/C24H37N5O3S2/c1-5-6-7-20(25)21(11-17-8-9-33-15-17)27-24(30)18-12-22(26-14-19-10-16(19)2)28-23(13-18)29(3)34(4,31)32/h8-9,12-13,15-16,19-21H,5-7,10-11,14,25H2,1-4H3,(H,26,28)(H,27,30)/t16-,19+,20-,21-/m0/s1
InChIKey	MSSOOXCWRUWADA-CZGNIMDHSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE (CHEBI:47632) is a unclassifieds (CHEBI:27189)

Synonyms	Source
N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE	PDBeChem
N-[(1S,2S)-2-amino-1-(thiophen-3-ylmethyl)hexyl]-2-({[(1S,2S)-2-methylcyclopropyl]methyl}amino)-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide	PDBeChem

Manual Xrefs	Databases
QIN	PDBeChem