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O-dimethylaminobenzoylvalylisoleucylalanine ethyl ester
SpectraBase Compound ID 8TS9Uisse0R
InChI InChI=1S/C25H40N4O5/c1-9-16(5)21(27-22(30)20(26)15(3)4)24(32)29(17(6)25(33)34-10-2)23(31)18-13-11-12-14-19(18)28(7)8/h11-17,20-21H,9-10,26H2,1-8H3,(H,27,30)/t16-,17-,20-,21-/m0/s1
InChIKey VLJBGJQUAUPDNX-USNOLKROSA-N
Mol Weight 476.6 g/mol
Molecular Formula C25H40N4O5
Exact Mass 476.29987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JB3g2ALjTgk
Name O-dimethylaminobenzoylvalylisoleucylalanine ethyl ester
CAS Registry Number 58068-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40N4O5
InChI InChI=1S/C25H40N4O5/c1-9-16(5)21(27-22(30)20(26)15(3)4)24(32)29(17(6)25(33)34-10-2)23(31)18-13-11-12-14-19(18)28(7)8/h11-17,20-21H,9-10,26H2,1-8H3,(H,27,30)/t16-,17-,20-,21-/m0/s1
InChIKey VLJBGJQUAUPDNX-USNOLKROSA-N
Molecular Weight 476.618 g/mol
SMILES N([C@](C(N(C(c1c(N(C)C)cccc1)=O)[C@](C(=O)OCC)(C)[H])=O)([C@](CC)(C)[H])[H])C([C@@](N)(C(C)C)[H])=O
SPLASH splash10-0002-0951000000-c07d992d40e15a97b350
Source of Spectrum O-10-693-3
Synonyms Ethyl (2S)-2-{((2S,3S)-2-{[(2S)-2-amino-3-methylbutanoyl]amino}-3-methylpentanoyl)[2-(dimethylamino)benzoyl]amino}propanoate
Wiley ID 1394282