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L-Alanine, N-[N-[N-(2,4-dioxopentyl)-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID 6aqzNLQQ6S6
InChI InChI=1S/C21H37N3O6/c1-8-13(5)18(20(28)23-15(7)21(29)30-9-2)24-19(27)17(12(3)4)22-11-16(26)10-14(6)25/h12-13,15,17-18,22H,8-11H2,1-7H3,(H,23,28)(H,24,27)/t13-,15-,17-,18-/m0/s1
InChIKey ICYOVNLMYOLIKU-IKICRFKJSA-N
Mol Weight 427.5 g/mol
Molecular Formula C21H37N3O6
Exact Mass 427.268236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9X0wVQKrimW
Name L-Alanine, N-[N-[N-(2,4-dioxopentyl)-L-valyl]-L-isoleucyl]-, ethyl ester
CAS Registry Number 37580-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37N3O6
InChI InChI=1S/C21H37N3O6/c1-8-13(5)18(20(28)23-15(7)21(29)30-9-2)24-19(27)17(12(3)4)22-11-16(26)10-14(6)25/h12-13,15,17-18,22H,8-11H2,1-7H3,(H,23,28)(H,24,27)/t13-,15-,17-,18-/m0/s1
InChIKey ICYOVNLMYOLIKU-IKICRFKJSA-N
Molecular Weight 427.542 g/mol
SMILES N(C([C@@](NCC(CC(=O)C)=O)(C(C)C)[H])=O)[C@](C(N[C@](C(=O)OCC)(C)[H])=O)([C@](CC)(C)[H])[H]
SPLASH splash10-0udi-0900000000-63cdb9f4c7e2acedf0c4
Source of Spectrum W5-34701-30835-30835
Synonyms Ethyl (2S)-2-{[(2S,3S)-2-({(2S)-2-[(2,4-dioxopentyl)amino]-3-methylbutanoyl}amino)-3-methylpentanoyl]amino}propanoate
Wiley ID 1380364