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CHEBI:40655 - ethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

ChEBI IDCHEBI:40655
ChEBI Nameethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Stars
ASCII Nameethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Last Modified2 March 2015
DownloadsMolfile
FormulaC31H41FN4O7
Net Charge0
Average Mass600.688
Monoisotopic Mass600.29593
SMILES[H]c1c(C(=O)N([H])[C@]([H])(C(=O)C([H])([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])[C@@]2([H])C(=O)N([H])C([H])([H])C2([H])[H])C([H])([H])c2c([H])c([H])c(F)c([H])c2[H])C([H])(C([H])([H])[H])C([H])([H])[H])noc1C([H])([H])[H]
InChIInChI=1S/C31H41FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-9,14,18,21-22,24,28H,5,10-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/t21-,22+,24+,28-/m0/s1
InChIKeyLMIUALQNZXJHOG-IFILWLFVSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (CHEBI:40655) has functional parent valeric acid (CHEBI:17418)
ethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (CHEBI:40655) is a ethyl ester (CHEBI:23990)
ethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (CHEBI:40655) is a isoxazoles (CHEBI:55373)
ethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (CHEBI:40655) is a organofluorine compound (CHEBI:37143)
ethyl (4R)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate (CHEBI:40655) is a pyrrolidin-2-ones (CHEBI:74223)
Synonyms  Source
4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTERPDBeChem
ethyl (4R)-4-{[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoatePDBeChem
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