N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide (CHEBI:49530)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49530 - N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:49530
ChEBI Name	N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide
Stars
Downloads	Molfile

Formula	C33H42N4O4S
Net Charge	0
Average Mass	590.790
Monoisotopic Mass	590.29268
SMILES	[H]O[C@]([H])(C([H])([H])N([H])[C@]1([H])c2c([H])c([H])c([H])c([H])c2C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(N([H])C(=O)c1c([H])c(N([H])C([H])([H])C([H])([H])[H])c([H])c(N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])S2(=O)=O)c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChI	InChI=1S/C33H42N4O4S/c1-2-34-27-20-26(21-28(22-27)37-17-8-9-18-42(37,40)41)33(39)36-31(19-24-11-4-3-5-12-24)32(38)23-35-30-16-10-14-25-13-6-7-15-29(25)30/h3-7,11-13,15,20-22,30-32,34-35,38H,2,8-10,14,16-19,23H2,1H3,(H,36,39)/t30-,31-,32+/m0/s1
InChIKey	OAOKRIOFVOASEG-OWHBQTKESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide (CHEBI:49530) is a unclassifieds (CHEBI:27189)

Synonym	Source
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide	PDBeChem

Manual Xrefs	Databases
C44	PDBeChem