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N-acetyl-leucyl-(O-acetyl)threonyl-alanine
SpectraBase Compound ID CKDcSqU72Rx
InChI InChI=1S/C17H29N3O7/c1-8(2)7-13(19-11(5)22)15(24)20-14(10(4)21)16(25)18-9(3)17(26)27-12(6)23/h8-10,13-14,21H,7H2,1-6H3,(H,18,25)(H,19,22)(H,20,24)/t9-,10+,13-,14-/m0/s1
InChIKey NEAMERFSKIFSAO-DJBIQUGXSA-N
Mol Weight 387.43 g/mol
Molecular Formula C17H29N3O7
Exact Mass 387.20055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRo33tRwZJx
Name N-acetyl-leucyl-(O-acetyl)threonyl-alanine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29N3O7
InChI InChI=1S/C17H29N3O7/c1-8(2)7-13(19-11(5)22)15(24)20-14(10(4)21)16(25)18-9(3)17(26)27-12(6)23/h8-10,13-14,21H,7H2,1-6H3,(H,18,25)(H,19,22)(H,20,24)/t9-,10+,13-,14-/m0/s1
InChIKey NEAMERFSKIFSAO-DJBIQUGXSA-N
Molecular Weight 387.433 g/mol
SMILES N(C([C@]([C@](O)(C)[H])(NC([C@@](NC(=O)C)(CC(C)C)[H])=O)[H])=O)[C@](C(OC(=O)C)=O)(C)[H]
SPLASH splash10-004u-9300000000-17bd2d1f70385303de6f
Source of Spectrum KQ-6-571-14
Synonyms Acetic (2S)-1-[((2S,3R)-2-{[(2S)-2-(acetylamino)-4-methylpentanoyl]amino}-3-hydroxybutanoyl)amino]propanoic anhydride
Wiley ID 1363299