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CHEBI:42556 - 2-[4-({(S)-1-[((S)-2-{[(RS)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl}pyrrolidin-1-yl)carbonyl]-2-methylpropyl}aminocarbonyl)benzoylamino]acetic acid

ChEBI IDCHEBI:42556
ChEBI Name2-[4-({(S)-1-[((S)-2-{[(RS)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl}pyrrolidin-1-yl)carbonyl]-2-methylpropyl}aminocarbonyl)benzoylamino]acetic acid
Stars
ASCII Name2-[4-({(S)-1-[((S)-2-{[(RS)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl}pyrrolidin-1-yl)carbonyl]-2-methylpropyl}aminocarbonyl)benzoylamino]acetic acid
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H33F3N4O7
Net Charge0
Average Mass570.565
Monoisotopic Mass570.23013
SMILES[H]OC(=O)C([H])([H])N([H])C(=O)c1c([H])c([H])c(C(=O)N([H])[C@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)N([H])[C@]([H])(C(=O)C(F)(F)F)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C26H33F3N4O7/c1-13(2)19(21(36)26(27,28)29)31-24(39)17-6-5-11-33(17)25(40)20(14(3)4)32-23(38)16-9-7-15(8-10-16)22(37)30-12-18(34)35/h7-10,13-14,17,19-20H,5-6,11-12H2,1-4H3,(H,30,37)(H,31,39)(H,32,38)(H,34,35)/t17-,19-,20-/m0/s1
InChIKeyMRTSIBBMOWLRPY-IHPCNDPISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[4-({(S)-1-[((S)-2-{[(RS)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl}pyrrolidin-1-yl)carbonyl]-2-methylpropyl}aminocarbonyl)benzoylamino]acetic acid (CHEBI:42556) is a N-acylpyrrolidine (CHEBI:46766)
2-[4-({(S)-1-[((S)-2-{[(RS)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl}pyrrolidin-1-yl)carbonyl]-2-methylpropyl}aminocarbonyl)benzoylamino]acetic acid (CHEBI:42556) is a benzamides (CHEBI:22702)
2-[4-({(S)-1-[((S)-2-{[(RS)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl}pyrrolidin-1-yl)carbonyl]-2-methylpropyl}aminocarbonyl)benzoylamino]acetic acid (CHEBI:42556) is a glycine derivative (CHEBI:24373)
2-[4-({(S)-1-[((S)-2-{[(RS)-3,3,3-trifluoro-1-isopropyl-2-oxopropyl]aminocarbonyl}pyrrolidin-1-yl)carbonyl]-2-methylpropyl}aminocarbonyl)benzoylamino]acetic acid (CHEBI:42556) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACIDPDBeChem
N-({4-[(carboxymethyl)carbamoyl]phenyl}carbonyl)-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-L-prolinamidePDBeChem
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