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CHEBI:42662 - N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE

Default Structure
ChEBI IDCHEBI:42662
ChEBI NameN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC33H41FN4O3
Net Charge0
Average Mass560.714
Monoisotopic Mass560.31627
SMILES[H]c1c([H])c([H])c(C([H])([H])[C@]([H])(N([H])C(=O)c2c([H])c([H])c([H])c(C(=O)N(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])c2[H])[C@@]([H])(N([H])[H])C([H])([H])[C@]([H])(C(=O)N([H])c2c([H])c([H])c(F)c([H])c2[H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C33H41FN4O3/c1-4-18-38(19-5-2)33(41)26-13-9-12-25(22-26)32(40)37-30(21-24-10-7-6-8-11-24)29(35)20-23(3)31(39)36-28-16-14-27(34)15-17-28/h6-17,22-23,29-30H,4-5,18-21,35H2,1-3H3,(H,36,39)(H,37,40)/t23-,29+,30+/m1/s1
InChIKeyPZHFCAIXAVDQAK-STQWGSIPSA-N
ChEBI Ontology
Outgoing Relation(s)
N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE (CHEBI:42662) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDEPDBeChem
N'-{(1S,2S,4R)-2-amino-1-benzyl-5-[(4-fluorophenyl)amino]-4-methyl-5-oxopentyl}-N,N-dipropylbenzene-1,3-dicarboxamidePDBeChem
Manual XrefsDatabases
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