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L-Alanine, N-[N-[N-(2-pyridinylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID 5FTZ0KZ2cT6
InChI InChI=1S/C22H34N4O4/c1-7-15(5)19(21(28)25-16(6)22(29)30-8-2)26-20(27)18(14(3)4)24-13-17-11-9-10-12-23-17/h9-16,18-19H,7-8H2,1-6H3,(H,25,28)(H,26,27)/b24-13+/t15-,16-,18-,19-/m0/s1
InChIKey ZQDDNJCRZKNQEV-CDNTXMAISA-N
Mol Weight 418.5 g/mol
Molecular Formula C22H34N4O4
Exact Mass 418.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zcJgFA3TxT
Name L-Alanine, N-[N-[N-(2-pyridinylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
CAS Registry Number 37580-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34N4O4
InChI InChI=1S/C22H34N4O4/c1-7-15(5)19(21(28)25-16(6)22(29)30-8-2)26-20(27)18(14(3)4)24-13-17-11-9-10-12-23-17/h9-16,18-19H,7-8H2,1-6H3,(H,25,28)(H,26,27)/b24-13+/t15-,16-,18-,19-/m0/s1
InChIKey ZQDDNJCRZKNQEV-CDNTXMAISA-N
Molecular Weight 418.538 g/mol
SMILES N(C([C@@](\N=C\c1ncccc1)(C(C)C)[H])=O)[C@](C(N[C@](C(=O)OCC)(C)[H])=O)([C@](CC)(C)[H])[H]
SPLASH splash10-0lz9-0930000000-a88cf062d5964dda4c57
Source of Spectrum O7-0-817-0
Synonyms 2-Pyridylmethylidene valylisoleucylalanine ethyl ester
Wiley ID 1377170