N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N(1)-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide (CHEBI:43193)

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CHEBI:43193 - N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N¹-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide

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ChEBI ID	CHEBI:43193
ChEBI Name	N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N¹-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide
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ASCII Name	N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N(1)-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide
Last Modified	20 June 2013
Downloads	Molfile

Formula	C30H46N6O8
Net Charge	0
Average Mass	618.732
Monoisotopic Mass	618.33771
SMILES	[H]/C(C(=O)OC([H])([H])C([H])([H])[H])=C(/[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)c1noc(C([H])([H])[H])c1[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])([H])C1([H])[H]
InChI	InChI=1S/C30H46N6O8/c1-8-43-24(37)10-9-21(15-20-11-12-31-27(20)39)33-28(40)22(13-16(2)3)34-30(42)25(17(4)5)35-26(38)19(7)32-29(41)23-14-18(6)44-36-23/h9-10,14,16-17,19-22,25H,8,11-13,15H2,1-7H3,(H,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,38)/b10-9+/t19-,20-,21+,22-,25-/m0/s1
InChIKey	LIVSSCDUYUOZEL-GLXPMXKMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N¹-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide (CHEBI:43193) is a isoxazoles (CHEBI:55373)
	N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N¹-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide (CHEBI:43193) is a pyrrolidin-2-ones (CHEBI:74223)
	N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N¹-((1S)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide (CHEBI:43193) is a tripeptide (CHEBI:47923)

Synonyms	Source
N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	PDBeChem
N-[(5-methylisoxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-[(1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-en-1-yl]-L-leucinamide	PDBeChem

Manual Xrefs	Databases
I12	PDBeChem