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2(S)-Amino-3-methyl-N-(1-dioctylcarbamoyl-2(S)-phenyl-ethyl)-butyramide
SpectraBase Compound ID DOJosbNcPet
InChI InChI=1S/C30H53N3O2/c1-5-7-9-11-13-18-22-33(23-19-14-12-10-8-6-2)30(35)27(24-26-20-16-15-17-21-26)32-29(34)28(31)25(3)4/h15-17,20-21,25,27-28H,5-14,18-19,22-24,31H2,1-4H3,(H,32,34)/t27-,28-/m0/s1
InChIKey BWUXPFVHNAFUFP-NSOVKSMOSA-N
Mol Weight 487.8 g/mol
Molecular Formula C30H53N3O2
Exact Mass 487.413778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGuPasl59tk
Name 2(S)-Amino-3-methyl-N-(1-dioctylcarbamoyl-2(S)-phenyl-ethyl)-butyramide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H53N3O2
InChI InChI=1S/C30H53N3O2/c1-5-7-9-11-13-18-22-33(23-19-14-12-10-8-6-2)30(35)27(24-26-20-16-15-17-21-26)32-29(34)28(31)25(3)4/h15-17,20-21,25,27-28H,5-14,18-19,22-24,31H2,1-4H3,(H,32,34)/t27-,28-/m0/s1
InChIKey BWUXPFVHNAFUFP-NSOVKSMOSA-N
Literature Reference DOI 10.1002/adsc.201000419
Molecular Weight 487.773 g/mol
SMILES N([C@](C(=O)N(CCCCCCCC)CCCCCCCC)(Cc1ccccc1)[H])C([C@@](N)(C(C)C)[H])=O
SPLASH splash10-00xr-5591100000-ad5110b20b554da5c450
Source of Spectrum ASC-352-2421/SM6-7b
Synonyms (S)-Val-(S)-Phe-dioctylamide (S)-2-amino-N-((S)-1-(dioctylamino)-1-oxo-3-phenylpropan-2-yl)-3-methylbutanamide
Wiley ID 1763998