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(1R)-1-[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid methyl ester
SpectraBase Compound ID Cfp0iMu31Vk
InChI InChI=1S/C26H31N3O4/c1-26(2,3)33-24(30)28-21(16-17-10-6-5-7-11-17)23-22-19(14-15-29(23)25(31)32-4)18-12-8-9-13-20(18)27-22/h5-13,21,23,27H,14-16H2,1-4H3,(H,28,30)/t21-,23+/m0/s1
InChIKey XWOBMMFRFRMUJS-JTHBVZDNSA-N
Mol Weight 449.55 g/mol
Molecular Formula C26H31N3O4
Exact Mass 449.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNYavHjFNFp
Name (1R)-1-[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid methyl ester
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Formula C26H31N3O4
InChI InChI=1S/C26H31N3O4/c1-26(2,3)33-24(30)28-21(16-17-10-6-5-7-11-17)23-22-19(14-15-29(23)25(31)32-4)18-12-8-9-13-20(18)27-22/h5-13,21,23,27H,14-16H2,1-4H3,(H,28,30)/t21-,23+/m0/s1
InChIKey XWOBMMFRFRMUJS-JTHBVZDNSA-N
Molecular Weight 449.551 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]([C@@](NC(OC(C)(C)C)=O)(Cc1ccccc1)[H])(N(CC2)C(=O)OC)[H]
SPLASH splash10-0600-5921000000-241fe5fbae6ebf2a7cdc
Source of Spectrum KC-0-1334-4
Synonyms (1R)-1-[(1S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid methyl ester Methyl (1R)-1-[(1S)-1-(tert-butoxycarbonylamino)-2-phenyl-ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Methyl (1R)-1-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
Wiley ID 781135