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S-(4"'-Methylphenyl) (1"S,2'R,4S)-2'-[N-[1"-(benzyloxycarbonyl)-2"-phenylbutyl]amono]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
SpectraBase Compound ID J728hQvTb9f
InChI InChI=1S/C27H35NO5S/c1-18(2)15-22(25(29)31-16-20-9-7-6-8-10-20)28-24(23-17-32-27(4,5)33-23)26(30)34-21-13-11-19(3)12-14-21/h6-14,18,22-24,28H,15-17H2,1-5H3/t22-,23+,24+/m0/s1
InChIKey WHSGODMGPICGTP-RBZQAINGSA-N
Mol Weight 485.6 g/mol
Molecular Formula C27H35NO5S
Exact Mass 485.223594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4T2lvDCMECu
Name S-(4"'-Methylphenyl) (1"S,2'R,4S)-2'-[N-[1"-(benzyloxycarbonyl)-2"-phenylbutyl]amono]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
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Formula C27H35NO5S
InChI InChI=1S/C27H35NO5S/c1-18(2)15-22(25(29)31-16-20-9-7-6-8-10-20)28-24(23-17-32-27(4,5)33-23)26(30)34-21-13-11-19(3)12-14-21/h6-14,18,22-24,28H,15-17H2,1-5H3/t22-,23+,24+/m0/s1
InChIKey WHSGODMGPICGTP-RBZQAINGSA-N
Molecular Weight 485.639 g/mol
SMILES N([C@@](C(Sc1ccc(cc1)C)=O)([C@@]1(OC(C)(C)OC1)[H])[H])[C@](C(OCc1ccccc1)=O)(CC(C)C)[H]
SPLASH splash10-000x-9108100000-f5e02af57e2590f1c4e7
Source of Spectrum J-60-6438-25
Synonyms (S)-2-{[(R)-((S)-2,2-Dimethyl-[1,3]dioxolan-4-yl)-p-tolylsulfanylcarbonyl-methyl]-amino}-4-methyl-pentanoic acid benzyl ester S-(4'''-Methylphenyl) (1''S,2'R,4S)-2'-[N-[1''-(benzyloxycarbonyl)-2''-phenylbutyl]amono]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate (2S)-2-[[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(4-methylphenyl)thio]-2-oxoethyl]amino]-4-methylpentanoic acid (phenylmethyl) ester benzyl (2S)-2-[[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-methylphenyl)sulfanyl-2-oxoethyl]amino]-4-methylpentanoate benzyl (2S)-2-[[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-2-(p-tolylsulfanyl)ethyl]amino]-4-methyl-pentanoate (phenylmethyl) (2S)-2-[[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-methylphenyl)sulfanyl-2-oxidanylidene-ethyl]amino]-4-methyl-pentanoate
Wiley ID 1396289