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Benzamide, N-[3-methyl-1-[(propylamino)carbonyl]butyl]-3,5-dinitro-, (S)-
SpectraBase Compound ID 2jMX7f2JHep
InChI InChI=1S/C16H22N4O6/c1-4-5-17-16(22)14(6-10(2)3)18-15(21)11-7-12(19(23)24)9-13(8-11)20(25)26/h7-10,14H,4-6H2,1-3H3,(H,17,22)(H,18,21)/t14-/m0/s1
InChIKey YOIRVGACRBXJMG-AWEZNQCLSA-N
Mol Weight 366.37 g/mol
Molecular Formula C16H22N4O6
Exact Mass 366.153934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oQa61YVzhW
Name Benzamide, N-[3-methyl-1-[(propylamino)carbonyl]butyl]-3,5-dinitro-, (S)-
Alternate Name(s) (S)-(+)-(3,5-dinitrobenzoyl)leucine n-propylamide N-{(1S)-3-methyl-1-[(propylamino)carbonyl]butyl}-3,5-dinitrobenzamide N-[(2S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl]-3,5-dinitrobenzamide N-[(2S)-4-methyl-1-oxidanylidene-1-(propylamino)pentan-2-yl]-3,5-dinitro-benzamide
CAS Registry Number 103794-12-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N4O6
InChI InChI=1S/C16H22N4O6/c1-4-5-17-16(22)14(6-10(2)3)18-15(21)11-7-12(19(23)24)9-13(8-11)20(25)26/h7-10,14H,4-6H2,1-3H3,(H,17,22)(H,18,21)/t14-/m0/s1
InChIKey YOIRVGACRBXJMG-AWEZNQCLSA-N
Molecular Weight 366.374 g/mol
SMILES N(C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)[C@](C(=O)NCCC)(CC(C)C)[H]
SPLASH splash10-01qi-3191000000-0700c6e12fabdab7eab5
Source of Spectrum C-109-5977-1
Wiley ID 1351717