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L-Alanine, N-[N-[N-(phenylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID 9isCigE1R15
InChI InChI=1S/C23H35N3O4/c1-7-16(5)20(22(28)25-17(6)23(29)30-8-2)26-21(27)19(15(3)4)24-14-18-12-10-9-11-13-18/h9-17,19-20H,7-8H2,1-6H3,(H,25,28)(H,26,27)/b24-14+/t16-,17-,19-,20-/m0/s1
InChIKey WNTDKSOFRFUBBK-UYFLSGIRSA-N
Mol Weight 417.6 g/mol
Molecular Formula C23H35N3O4
Exact Mass 417.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGLguQXCPWF
Name L-Alanine, N-[N-[N-(phenylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
CAS Registry Number 37580-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35N3O4
InChI InChI=1S/C23H35N3O4/c1-7-16(5)20(22(28)25-17(6)23(29)30-8-2)26-21(27)19(15(3)4)24-14-18-12-10-9-11-13-18/h9-17,19-20H,7-8H2,1-6H3,(H,25,28)(H,26,27)/b24-14+/t16-,17-,19-,20-/m0/s1
InChIKey WNTDKSOFRFUBBK-UYFLSGIRSA-N
Molecular Weight 417.550 g/mol
SMILES N(C([C@@](\N=C\c1ccccc1)(C(C)C)[H])=O)[C@](C(=O)N[C@](C(OCC)=O)(C)[H])([C@](CC)(C)[H])[H]
SPLASH splash10-03di-0941000000-fa974a790dc648beb99a
Source of Spectrum O7-0-817-0
Synonyms Benzylidene valylisoleucylalanine ethyl ester Ethyl
Wiley ID 1376849