N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide (CHEBI:123535)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123535 - N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:123535
ChEBI Name	N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide
Stars
Downloads	Molfile

Formula	C23H31Cl2N3O4
Net Charge	0
Average Mass	484.424
Monoisotopic Mass	483.16916
SMILES	O=C(C[C@H]1C=C[C@H](NC(=O)CCN2CCCCC2)[C@@H](CO)O1)NCc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C23H31Cl2N3O4/c24-18-6-4-16(12-19(18)25)14-26-23(31)13-17-5-7-20(21(15-29)32-17)27-22(30)8-11-28-9-2-1-3-10-28/h4-7,12,17,20-21,29H,1-3,8-11,13-15H2,(H,26,31)(H,27,30)/t17-,20+,21-/m1/s1
InChIKey	FPUISOVZIDCXHC-JRGCBEDISA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide (CHEBI:123535) has functional parent β-amino acid (CHEBI:33706)
	N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide (CHEBI:123535) is a organonitrogen compound (CHEBI:35352)
	N-[(2S,3S,6S)-6-[2-[(3,4-dichlorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-3-(1-piperidinyl)propanamide (CHEBI:123535) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-34977	LINCS