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CHEBI:43972 - [DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE

Default Structure
ChEBI IDCHEBI:43972
ChEBI Name[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE
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DownloadsMolfile
FormulaC28H29F5N4O3
Net Charge0
Average Mass564.555
Monoisotopic Mass564.21598
SMILES[H]c1c([H])c([H])c(C([H])([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)C(F)(F)F)C([H])([H])c2c([H])n([H])c3c([H])c([H])c([H])c([H])c23)N([H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C28H29F5N4O3/c1-34-22(14-17-8-3-2-4-9-17)26(40)37-13-7-12-23(37)25(39)36-21(24(38)27(29,30)28(31,32)33)15-18-16-35-20-11-6-5-10-19(18)20/h2-6,8-11,16,21-23,34-35H,7,12-15H2,1H3,(H,36,39)/t21-,22+,23-/m0/s1
InChIKeyWFJABZVISMTOSO-ZRBLBEILSA-N
ChEBI Ontology
Outgoing Relation(s)
[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINE (CHEBI:43972) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-[4,4,5,5,5-PENTAFLUORO-3-OXY-1-[3-INDOLYL]-PENT-2-YL]AMINEPDBeChem
N-methyl-D-phenylalanyl-N-[(1S)-3,3,4,4,4-pentafluoro-1-(1H-indol-3-ylmethyl)-2-oxobutyl]-L-prolinamidePDBeChem
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