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N-[(Benzyloxycarbonyl)-L-alanine-N-{2-[(cyclopropylmethyl)amino]-2'-oxo-1'-phenylethyl}-amide
SpectraBase Compound ID 8OEymkh7Aty
InChI InChI=1S/C23H27N3O4/c1-16(25-23(29)30-15-18-8-4-2-5-9-18)21(27)26-20(19-10-6-3-7-11-19)22(28)24-14-17-12-13-17/h2-11,16-17,20H,12-15H2,1H3,(H,24,28)(H,25,29)(H,26,27)/t16-,20-/m0/s1
InChIKey DKTPIYXFLPOZIW-JXFKEZNVSA-N
Mol Weight 409.49 g/mol
Molecular Formula C23H27N3O4
Exact Mass 409.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C54EHSahM
Name N-[(Benzyloxycarbonyl)-L-alanine-N-{2-[(cyclopropylmethyl)amino]-2'-oxo-1'-phenylethyl}-amide
Alternate Name(s) N-[(2S)-1-[[(1S)-2-(cyclopropylmethylamino)-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester benzyl N-[(2S)-1-[[(1S)-2-(cyclopropylmethylamino)-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamate benzyl N-[(1S)-2-[[(1S)-2-(cyclopropylmethylamino)-2-oxo-1-phenyl-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate (phenylmethyl) N-[(2S)-1-[[(1S)-2-(cyclopropylmethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate
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Formula C23H27N3O4
InChI InChI=1S/C23H27N3O4/c1-16(25-23(29)30-15-18-8-4-2-5-9-18)21(27)26-20(19-10-6-3-7-11-19)22(28)24-14-17-12-13-17/h2-11,16-17,20H,12-15H2,1H3,(H,24,28)(H,25,29)(H,26,27)/t16-,20-/m0/s1
InChIKey DKTPIYXFLPOZIW-JXFKEZNVSA-N
Molecular Weight 409.486 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)(C)[H])=O)[C@](C(NCC1CC1)=O)(c1ccccc1)[H]
SPLASH splash10-053i-0009300000-518de231a5588a4ee83b
Source of Spectrum H-87-2339-16
Wiley ID 1564023