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CHEBI:44773 - ((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-6-YL)ACETAMIDO)-3-METHYLPENTANAMIDO)-N-BUTYL-3-HYDROXY-6-METHYLHEPTANAMIDE)

Default Structure
ChEBI IDCHEBI:44773
ChEBI Name((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-6-YL)ACETAMIDO)-3-METHYLPENTANAMIDO)-N-BUTYL-3-HYDROXY-6-METHYLHEPTANAMIDE)
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H45N3O4
Net Charge0
Average Mass511.707
Monoisotopic Mass511.34101
SMILES[H]O[C@@]([H])(C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])c1c([H])c([H])c2c([H])c([H])c([H])c([H])c2c1[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C30H45N3O4/c1-6-8-15-31-27(35)19-26(34)25(16-20(3)4)32-30(37)29(21(5)7-2)33-28(36)18-22-13-14-23-11-9-10-12-24(23)17-22/h9-14,17,20-21,25-26,29,34H,6-8,15-16,18-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t21-,25-,26-,29-/m0/s1
InChIKeyYHTKRGDAFFBWEU-KXDOSHFCSA-N
ChEBI Ontology
Outgoing Relation(s)
((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-6-YL)ACETAMIDO)-3-METHYLPENTANAMIDO)-N-BUTYL-3-HYDROXY-6-METHYLHEPTANAMIDE) (CHEBI:44773) is a unclassifieds (CHEBI:27189)
Synonyms  Source
((3S,4S)-4-((2S,3S)-2-(2-(NAPTHALEN-6-YL)ACETAMIDO)-3-METHYLPENTANAMIDO)-N-BUTYL-3-HYDROXY-6-METHYLHEPTANAMIDE)PDBeChem
(3S,4S)-N-butyl-3-hydroxy-6-methyl-4-{[N-(naphthalen-2-ylacetyl)-L-isoleucyl]amino}heptanamidePDBeChem
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