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1-[2-(Methoxycarbonyl)ethylamido]-2-[3-(N'-benzoxycarbonylamino)propanamido]cyclobutane [tripeptide]
SpectraBase Compound ID CavQQmQJBHh
InChI InChI=1S/C20H27N3O6/c1-28-18(25)10-12-21-19(26)15-7-8-16(15)23-17(24)9-11-22-20(27)29-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,21,26)(H,22,27)(H,23,24)/t15-,16+/m1/s1
InChIKey XSQXMMYBKSPBSI-CVEARBPZSA-N
Mol Weight 405.45 g/mol
Molecular Formula C20H27N3O6
Exact Mass 405.189986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5vaUVNi15F
Name 1-[2-(Methoxycarbonyl)ethylamido]-2-[3-(N'-benzoxycarbonylamino)propanamido]cyclobutane [tripeptide]
Alternate Name(s) 3-[[oxo-[(1R,2S)-2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]cyclobutyl]methyl]amino]propanoic acid methyl ester Methyl 3-[[(1R,2S)-2-[3-(phenylmethoxycarbonylamino)propanoylamino]cyclobutanecarbonyl]amino]propanoate Methyl 3-[[(1R,2S)-2-[3-(benzyloxycarbonylamino)propanoylamino]cyclobutanecarbonyl]amino]propanoate Methyl 3-[[(1R,2S)-2-[3-(phenylmethoxycarbonylamino)propanoylamino]cyclobutyl]carbonylamino]propanoate
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Formula C20H27N3O6
InChI InChI=1S/C20H27N3O6/c1-28-18(25)10-12-21-19(26)15-7-8-16(15)23-17(24)9-11-22-20(27)29-13-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,21,26)(H,22,27)(H,23,24)/t15-,16+/m1/s1
InChIKey XSQXMMYBKSPBSI-CVEARBPZSA-N
Molecular Weight 405.451 g/mol
SMILES N([C@@]1([C@](C(=O)NCCC(=O)OC)(CC1)[H])[H])C(CCNC(=O)OCc1ccccc1)=O
SPLASH splash10-0007-9220000000-fc73157cc095bcc84429
Source of Spectrum F-69-5098-7
Wiley ID 1595378