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(2S)-2-[bis(phenylmethyl)amino]-6-[carbonochloridoyl-(phenylmethyl)amino]hexanoic acid (phenylmethyl) ester
SpectraBase Compound ID GEe0j5MS36k
InChI InChI=1S/C35H37ClN2O3/c36-35(40)37(25-29-15-5-1-6-16-29)24-14-13-23-33(34(39)41-28-32-21-11-4-12-22-32)38(26-30-17-7-2-8-18-30)27-31-19-9-3-10-20-31/h1-12,15-22,33H,13-14,23-28H2/t33-/m0/s1
InChIKey IDYFGPAKWFBBPI-XIFFEERXSA-N
Mol Weight 569.1 g/mol
Molecular Formula C35H37ClN2O3
Exact Mass 568.249271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWNGcpVEH7F
Name (2S)-2-[bis(phenylmethyl)amino]-6-[carbonochloridoyl-(phenylmethyl)amino]hexanoic acid (phenylmethyl) ester
Alternate Name(s) (2S)-6-[benzyl(chlorocarbonyl)amino]-2-(dibenzylamino)hexanoic acid benzyl ester (phenylmethyl) (2S)-2-[bis(phenylmethyl)amino]-6-[carbonochloridoyl-(phenylmethyl)amino]hexanoate benzyl (2S)-6-[benzyl(carbonochloridoyl)amino]-2-(dibenzylamino)hexanoate benzyl (2S)-6-[benzyl(chlorocarbonyl)amino]-2-(dibenzylamino)hexanoate
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Formula C35H37ClN2O3
InChI InChI=1S/C35H37ClN2O3/c36-35(40)37(25-29-15-5-1-6-16-29)24-14-13-23-33(34(39)41-28-32-21-11-4-12-22-32)38(26-30-17-7-2-8-18-30)27-31-19-9-3-10-20-31/h1-12,15-22,33H,13-14,23-28H2/t33-/m0/s1
InChIKey IDYFGPAKWFBBPI-XIFFEERXSA-N
Molecular Weight 569.145 g/mol
SMILES [C@](N(Cc1ccccc1)Cc1ccccc1)(C(OCc1ccccc1)=O)(CCCCN(C(=O)Cl)Cc1ccccc1)[H]
SPLASH splash10-0006-9001400000-c230186474735b625187
Source of Spectrum J-68-616-27
Wiley ID 1536233