(3S)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate (CHEBI:40059)

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CHEBI:40059 - (3S)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate

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ChEBI ID	CHEBI:40059
ChEBI Name	(3S)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate
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ASCII Name	(3S)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate
Last Modified	16 May 2008
Downloads	Molfile

Formula	C28H41N5O6
Net Charge	0
Average Mass	543.665
Monoisotopic Mass	543.30568
SMILES	[H]O[C@]([H])(C(=O)N([H])[C@@]([H])(c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)O[C@]1([H])C([H])([H])N(C(=O)N([H])c2c(C([H])([H])[H])noc2C([H])([H])[H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChI	InChI=1S/C28H41N5O6/c1-7-8-14-21(24(34)25(35)29-17(2)20-12-10-9-11-13-20)30-27(37)38-22-15-33(16-28(22,5)6)26(36)31-23-18(3)32-39-19(23)4/h9-13,17,21-22,24,34H,7-8,14-16H2,1-6H3,(H,29,35)(H,30,37)(H,31,36)/t17-,21+,22-,24+/m1/s1
InChIKey	VVZICJQTDYOKIN-TYVKFHQSSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3S)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate (CHEBI:40059) is a N-acylpyrrolidine (CHEBI:46766)
	(3S)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate (CHEBI:40059) is a carbamate ester (CHEBI:23003)
	(3S)-1-{[(3,5-dimethylisoxazol-4-yl)amino]carbonyl}-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate (CHEBI:40059) is a isoxazoles (CHEBI:55373)

Synonyms	Source
(3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE	PDBeChem
(3S)-1-[(3,5-dimethylisoxazol-4-yl)carbamoyl]-4,4-dimethylpyrrolidin-3-yl {(1S)-1-[(1S)-1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl]pentyl}carbamate	PDBeChem

Manual Xrefs	Databases
4PR	PDBeChem