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Alanine, N-[N-[1-(2-hydroxy-1-oxo-3-phenylpropyl)-D-prolyl]-L-alanyl]-2-methyl-, .kappa.-lactone, (S)-
SpectraBase Compound ID EaihGcENzW3
InChI InChI=1S/C21H27N3O5/c1-13(22)19(26)24(20(27)16-8-5-9-23-16)12-15-11-17(25)18(29-21(15)28)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18,23H,5,8-12,22H2,1H3/t13-,15?,16+,18-/m0/s1
InChIKey XVYXOWDKGUXMQK-CVQBIBQISA-N
Mol Weight 401.46 g/mol
Molecular Formula C21H27N3O5
Exact Mass 401.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12Luqc79ZGh
Name Alanine, N-[N-[1-(2-hydroxy-1-oxo-3-phenylpropyl)-D-prolyl]-L-alanyl]-2-methyl-, .kappa.-lactone, (S)-
CAS Registry Number 90476-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N3O5
InChI InChI=1S/C21H27N3O5/c1-13(22)19(26)24(20(27)16-8-5-9-23-16)12-15-11-17(25)18(29-21(15)28)10-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,18,23H,5,8-12,22H2,1H3/t13-,15?,16+,18-/m0/s1
InChIKey XVYXOWDKGUXMQK-CVQBIBQISA-N
Molecular Weight 401.463 g/mol
SMILES N1CCC[C@@]1(C(N(C([C@@](N)(C)[H])=O)CC1C(O[C@](C(C1)=O)(Cc1ccccc1)[H])=O)=O)[H]
SPLASH splash10-0fef-9620000000-797d1b5b76b4aa06f945
Source of Spectrum H-67-532-0
Synonyms (2R)-N-[(2S)-2-aminopropanoyl]-N-{[(6S)-6-benzyl-2,5-dioxotetrahydro-2H-pyran-3-yl]methyl}-2-pyrrolidinecarboxamide (S)-3-phenyllactoyl-(R)-prolyl-(S)-alanyl-aminoisobutyrolactone 1H-pyrrolo[1,2-d][1,4,7,10]oxatriazacyclododecine, cyclic peptide deriv.
Wiley ID 1369971