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benzyl (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoate
SpectraBase Compound ID STd4iNmLlz
InChI InChI=1S/C30H32N2O4/c1-30(2,3)36-29(34)32(20-22-12-6-4-7-13-22)27(28(33)35-21-23-14-8-5-9-15-23)18-24-19-31-26-17-11-10-16-25(24)26/h4-17,19,27,31H,18,20-21H2,1-3H3/t27-/m0/s1
InChIKey ANIDLLKYEUJTSR-MHZLTWQESA-N
Mol Weight 484.6 g/mol
Molecular Formula C30H32N2O4
Exact Mass 484.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgQAkYLB2kW
Name benzyl (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoate
Alternate Name(s) (2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]propanoic acid (phenylmethyl) ester benzyl (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoate (phenylmethyl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate
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Formula C30H32N2O4
InChI InChI=1S/C30H32N2O4/c1-30(2,3)36-29(34)32(20-22-12-6-4-7-13-22)27(28(33)35-21-23-14-8-5-9-15-23)18-24-19-31-26-17-11-10-16-25(24)26/h4-17,19,27,31H,18,20-21H2,1-3H3/t27-/m0/s1
InChIKey ANIDLLKYEUJTSR-MHZLTWQESA-N
Molecular Weight 484.596 g/mol
SMILES [nH]1c2c(c(c1)C[C@](N(C(OC(C)(C)C)=O)Cc1ccccc1)(C(OCc1ccccc1)=O)[H])cccc2
SPLASH splash10-001l-5910000000-e03960d98e28302a6921
Source of Spectrum J-62-7958-16
Wiley ID 1396104