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(-)-N-Benzoyl-L-isoleucyl-Obenzoyl-L-valinol iso-arthonin

View entire compound with spectra: 1 MS (GC)

(-)-N-Benzoyl-L-isoleucyl-Obenzoyl-L-valinol iso-arthonin
SpectraBase Compound ID EJLpfN5wyGz
InChI InChI=1S/C25H32N2O4/c1-5-18(4)22(27-23(28)19-12-8-6-9-13-19)24(29)26-21(17(2)3)16-31-25(30)20-14-10-7-11-15-20/h6-15,17-18,21-22H,5,16H2,1-4H3,(H,26,29)(H,27,28)/t18-,21-,22+/m1/s1
InChIKey CYKHBJCXJDXSPW-QIJUGHKUSA-N
Mol Weight 424.5 g/mol
Molecular Formula C25H32N2O4
Exact Mass 424.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTlozqfbtvm
Name (-)-N-Benzoyl-L-isoleucyl-Obenzoyl-L-valinol iso-arthonin
Alternate Name(s) benzoic acid [(2S)-2-[[(2S,3R)-2-benzamido-3-methyl-1-oxopentyl]amino]-3-methylbutyl] ester [(2S)-2-[[(2S,3R)-2-benzamido-3-methylpentanoyl]amino]-3-methylbutyl] benzoate [(2S)-2-[[(2S,3R)-2-benzamido-3-methyl-pentanoyl]amino]-3-methyl-butyl] benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O4
InChI InChI=1S/C25H32N2O4/c1-5-18(4)22(27-23(28)19-12-8-6-9-13-19)24(29)26-21(17(2)3)16-31-25(30)20-14-10-7-11-15-20/h6-15,17-18,21-22H,5,16H2,1-4H3,(H,26,29)(H,27,28)/t18-,21-,22+/m1/s1
InChIKey CYKHBJCXJDXSPW-QIJUGHKUSA-N
Molecular Weight 424.541 g/mol
SMILES N([C@](C(N[C@](COC(=O)c1ccccc1)(C(C)C)[H])=O)([C@@](CC)(C)[H])[H])C(=O)c1ccccc1
SPLASH splash10-0a4i-2921000000-2e98762a28230c2e2caa
Source of Spectrum QC-4-311-13
Wiley ID 883212