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(2-Amino-2-methyl-3-phenylpropanoyl)-L-alanyl-L-alanine benzyl ester
SpectraBase Compound ID 9MSyKlrndHc
InChI InChI=1S/C23H29N3O4/c1-16(24)20(27)26(17(2)21(28)30-15-19-12-8-5-9-13-19)22(29)23(3,25)14-18-10-6-4-7-11-18/h4-13,16-17H,14-15,24-25H2,1-3H3/t16-,17-,23?/m0/s1
InChIKey ROGAJTJNWPDGPY-UYHNVOLQSA-N
Mol Weight 411.5 g/mol
Molecular Formula C23H29N3O4
Exact Mass 411.215806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF7cNOLukV
Name (2-Amino-2-methyl-3-phenylpropanoyl)-L-alanyl-L-alanine benzyl ester
Alternate Name(s) benzyl (2S)-2-{(2-amino-2-methyl-3-phenylpropanoyl)[(2S)-2-aminopropanoyl]amino}propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H29N3O4
InChI InChI=1S/C23H29N3O4/c1-16(24)20(27)26(17(2)21(28)30-15-19-12-8-5-9-13-19)22(29)23(3,25)14-18-10-6-4-7-11-18/h4-13,16-17H,14-15,24-25H2,1-3H3/t16-,17-,23?/m0/s1
InChIKey ROGAJTJNWPDGPY-UYHNVOLQSA-N
Molecular Weight 411.502 g/mol
SMILES NC(C(N(C([C@@](N)(C)[H])=O)[C@](C(OCc1ccccc1)=O)(C)[H])=O)(Cc1ccccc1)C
SPLASH splash10-0006-9000000000-934138fca10738a5c3b5
Source of Spectrum KC-57-5779-8
Wiley ID 1624893