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N-[(1S)-1-benzyl-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]thio]ethyl]carbamic acid tert-butyl ester
SpectraBase Compound ID ILmME3rI7J0
InChI InChI=1S/C28H40N2O4S/c1-27(2,3)33-25(31)29-23(17-21-13-9-7-10-14-21)19-35-20-24(18-22-15-11-8-12-16-22)30-26(32)34-28(4,5)6/h7-16,23-24H,17-20H2,1-6H3,(H,29,31)(H,30,32)/t23-,24-/m0/s1
InChIKey SIRZMWHCSNHCCT-ZEQRLZLVSA-N
Mol Weight 500.7 g/mol
Molecular Formula C28H40N2O4S
Exact Mass 500.270879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB8W0kQvg5S
Name N-[(1S)-1-benzyl-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]thio]ethyl]carbamic acid tert-butyl ester
Alternate Name(s) N-[(2S)-1-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]thio]-3-phenylpropan-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[(1S)-1-benzyl-2-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propyl]sulfanyl-ethyl]carbamate tert-Butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]sulfanyl-3-phenyl-propan-2-yl]carbamate
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Formula C28H40N2O4S
InChI InChI=1S/C28H40N2O4S/c1-27(2,3)33-25(31)29-23(17-21-13-9-7-10-14-21)19-35-20-24(18-22-15-11-8-12-16-22)30-26(32)34-28(4,5)6/h7-16,23-24H,17-20H2,1-6H3,(H,29,31)(H,30,32)/t23-,24-/m0/s1
InChIKey SIRZMWHCSNHCCT-ZEQRLZLVSA-N
Molecular Weight 500.698 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](CSC[C@@](NC(OC(C)(C)C)=O)(Cc1ccccc1)[H])(Cc1ccccc1)[H]
SPLASH splash10-0c03-7900000000-4a723dc822c06e8d303d
Source of Spectrum U-1997-1355-4
Wiley ID 769794