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N(2,2)-[(R)-N(2,1)-Benzoyl-2-phenyl-2-allylglycyl]-L-phenylalanyl-L-phenylalanine-dimethylamide
SpectraBase Compound ID BprKXSFwoFo
InChI InChI=1S/C38H40N4O4/c1-4-25-38(31-23-15-8-16-24-31,41-34(43)30-21-13-7-14-22-30)37(46)40-32(26-28-17-9-5-10-18-28)35(44)39-33(36(45)42(2)3)27-29-19-11-6-12-20-29/h4-24,32-33H,1,25-27H2,2-3H3,(H,39,44)(H,40,46)(H,41,43)/t32-,33+,38-/m1/s1
InChIKey FLOAZCCMUPLGOH-YDAVQLKISA-N
Mol Weight 616.8 g/mol
Molecular Formula C38H40N4O4
Exact Mass 616.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64g46lTzQz1
Name N(2,2)-[(R)-N(2,1)-Benzoyl-2-phenyl-2-allylglycyl]-L-phenylalanyl-L-phenylalanine-dimethylamide
Alternate Name(s) N-((1R)-1-{[((1R)-1-benzyl-2-{[(1S)-1-benzyl-2-(dimethylamino)-2-oxoethyl]amino}-2-oxoethyl)amino]carbonyl}-1-phenyl-3-butenyl)benzamide
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Formula C38H40N4O4
InChI InChI=1S/C38H40N4O4/c1-4-25-38(31-23-15-8-16-24-31,41-34(43)30-21-13-7-14-22-30)37(46)40-32(26-28-17-9-5-10-18-28)35(44)39-33(36(45)42(2)3)27-29-19-11-6-12-20-29/h4-24,32-33H,1,25-27H2,2-3H3,(H,39,44)(H,40,46)(H,41,43)/t32-,33+,38-/m1/s1
InChIKey FLOAZCCMUPLGOH-YDAVQLKISA-N
Molecular Weight 616.762 g/mol
SMILES N(C([C@](NC(=O)c1ccccc1)(c1ccccc1)CC=C)=O)[C@@](C(N[C@](C(N(C)C)=O)(Cc1ccccc1)[H])=O)(Cc1ccccc1)[H]
SPLASH splash10-0a4i-3920000000-2249afbede42840d8d14
Source of Spectrum H-75-1693-21
Wiley ID 1411342