N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide (CHEBI:41344)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:41344 - N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:41344
ChEBI Name	N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide
Stars
Last Modified	16 May 2008
Downloads	Molfile

Formula	C27H47N3O5
Net Charge	0
Average Mass	493.689
Monoisotopic Mass	493.35157
SMILES	[H]O[C@@]([H])(C([H])([H])[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])[H])C([H])([H])[C@]([H])(C([H])([H])N([H])C(=O)c1c([H])c([H])c([H])c([H])c1OC([H])([H])C([H])([H])C([H])([H])OC([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChI	InChI=1S/C27H47N3O5/c1-6-7-13-29-26(32)20(4)16-24(31)23(28)17-21(19(2)3)18-30-27(33)22-11-8-9-12-25(22)35-15-10-14-34-5/h8-9,11-12,19-21,23-24,31H,6-7,10,13-18,28H2,1-5H3,(H,29,32)(H,30,33)/t20-,21-,23+,24+/m1/s1
InChIKey	JYPXLSXKONMTFW-HTDNTCHWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide (CHEBI:41344) is a unclassifieds (CHEBI:27189)

Synonyms	Source
N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-2-(1-methylethyl)-8-oxooctyl]-2-(3-methoxypropoxy)benzamide	PDBeChem
N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE	PDBeChem

Manual Xrefs	Databases
C39	PDBeChem