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(R)-(4-Oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
SpectraBase Compound ID ImpG3eixhR
InChI InChI=1S/C25H26N4O5/c1-25(2,3)34-24(32)28-20(12-16-14-26-19-9-5-4-8-18(16)19)23(31)33-15-17-13-22(30)29-11-7-6-10-21(29)27-17/h4-11,13-14,20,26H,12,15H2,1-3H3,(H,28,32)/t20-/m1/s1
InChIKey DIXYCXYUHGAXKO-HXUWFJFHSA-N
Mol Weight 462.51 g/mol
Molecular Formula C25H26N4O5
Exact Mass 462.19032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQ5LqnvMHKF
Name (R)-(4-Oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
Appearance Colorless solid
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Exact Mass 462.190319948 u
Formula C25H26N4O5
InChI InChI=1S/C25H26N4O5/c1-25(2,3)34-24(32)28-20(12-16-14-26-19-9-5-4-8-18(16)19)23(31)33-15-17-13-22(30)29-11-7-6-10-21(29)27-17/h4-11,13-14,20,26H,12,15H2,1-3H3,(H,28,32)/t20-/m1/s1
InChIKey DIXYCXYUHGAXKO-HXUWFJFHSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 462.506 g/mol
Quality 33
Reported Formula C25H26N4O5
SMILES N([C@](CC=1C=2C=CC=CC2NC1)(C(OCC=1N=C2C=CC=CN2C(=O)C1)=O)[H])C(OC(C)(C)C)=O
SPLASH splash10-001i-0902000000-88957efa6c4fddc7d4aa
Source of Spectrum ACI-57-SM34-10 (DOI: 10.1002/anie.201801111)
Wiley ID 1892941