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CHEBI:42071 - 3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1H-indol-2-yl}methyl)thiophene-2-carboxylic acid

Default Structure
ChEBI IDCHEBI:42071
ChEBI Name3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1H-indol-2-yl}methyl)thiophene-2-carboxylic acid
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H31F2N3O7S
Net Charge0
Average Mass567.611
Monoisotopic Mass567.18508
SMILES[H]OC(=O)c1sc([H])c([H])c1C([H])([H])[C@@]1(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])C([H])(F)F)[C@@]([H])(O[H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])c2c([H])c([H])c([H])c([H])c2C1([H])[H]
InChIInChI=1S/C26H31F2N3O7S/c1-13(2)9-18(22(33)29-17(10-19(27)28)20(32)23(34)35)30-25(38)26(11-14-5-3-4-6-16(14)31-26)12-15-7-8-39-21(15)24(36)37/h3-8,13,17-20,31-32H,9-12H2,1-2H3,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t17-,18-,20+,26-/m0/s1
InChIKeyBEFPIHVRQQQFFB-QUPVEMFASA-N
ChEBI Ontology
Outgoing Relation(s)
3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1H-indol-2-yl}methyl)thiophene-2-carboxylic acid (CHEBI:42071) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1H-indol-2-yl}methyl)thiophene-2-carboxylic acidPDBeChem
3-{[N-({(2S)-2-[(2-carboxythiophen-3-yl)methyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)-L-leucyl]amino}-3,4,5-trideoxy-5,5-difluoro-L-threo-pentonic acidPDBeChem
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