(2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CHEBI:44987)

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CHEBI:44987 - (2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

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ChEBI ID	CHEBI:44987
ChEBI Name	(2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
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ASCII Name	(2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
Last Modified	20 June 2013
Downloads	Molfile

Formula	C37H53N5O7
Net Charge	0
Average Mass	679.859
Monoisotopic Mass	679.39450
SMILES	[H]Oc1c([H])c([H])c(C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N2C(=O)C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])N([H])[C@]2([H])C(=O)N([H])[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])Oc3c([H])c([H])c(c([H])c3[H])C2([H])[H])c([H])c1[H]
InChI	InChI=1S/C37H53N5O7/c1-5-24(4)33-36(47)38-17-7-19-49-28-15-11-26(12-16-28)21-30(35(46)41-33)39-22-31(44)29(20-25-9-13-27(43)14-10-25)40-37(48)34(23(2)3)42-18-6-8-32(42)45/h9-16,23-24,29-31,33-34,39,43-44H,5-8,17-22H2,1-4H3,(H,38,47)(H,40,48)(H,41,46)/t24-,29-,30-,31+,33-,34-/m0/s1
InChIKey	WGWWDGLTNADWNS-HKERLIEGSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CHEBI:44987) is a azabicycloalkane (CHEBI:38295)
	(2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CHEBI:44987) is a monocarboxylic acid amide (CHEBI:29347)
	(2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CHEBI:44987) is a oxabicycloalkane (CHEBI:46733)
	(2S)-N-((1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CHEBI:44987) is a pyrrolidin-2-ones (CHEBI:74223)

Synonyms	Source
N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE	PDBeChem
(2S)-N-[(1S,2R)-2-hydroxy-1-(4-hydroxybenzyl)-3-{[(8S,11S)-8-[(1S)-1-methylpropyl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino}propyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide	PDBeChem

Manual Xrefs	Databases
PI5	PDBeChem