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S-(4"'-Methylphenyl) (1"S,2'R,4S)-2'-[N-[1"-(benzyloxycarbonyl)-2"-phenylethyl]amono]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate

View entire compound with spectra: 1 MS (GC)

S-(4"'-Methylphenyl) (1"S,2'R,4S)-2'-[N-[1"-(benzyloxycarbonyl)-2"-phenylethyl]amono]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
SpectraBase Compound ID Bs3ZOc8FOT7
InChI InChI=1S/C30H33NO5S/c1-21-14-16-24(17-15-21)37-29(33)27(26-20-35-30(2,3)36-26)31-25(18-22-10-6-4-7-11-22)28(32)34-19-23-12-8-5-9-13-23/h4-17,25-27,31H,18-20H2,1-3H3/t25-,26+,27+/m0/s1
InChIKey RREMJWVCWJSWSN-OYUWMTPXSA-N
Mol Weight 519.7 g/mol
Molecular Formula C30H33NO5S
Exact Mass 519.207944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46anXsCHYjd
Name S-(4"'-Methylphenyl) (1"S,2'R,4S)-2'-[N-[1"-(benzyloxycarbonyl)-2"-phenylethyl]amono]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33NO5S
InChI InChI=1S/C30H33NO5S/c1-21-14-16-24(17-15-21)37-29(33)27(26-20-35-30(2,3)36-26)31-25(18-22-10-6-4-7-11-22)28(32)34-19-23-12-8-5-9-13-23/h4-17,25-27,31H,18-20H2,1-3H3/t25-,26+,27+/m0/s1
InChIKey RREMJWVCWJSWSN-OYUWMTPXSA-N
Molecular Weight 519.656 g/mol
SMILES N([C@@](C(Sc1ccc(cc1)C)=O)([C@@]1(OC(C)(C)OC1)[H])[H])[C@](C(OCc1ccccc1)=O)(Cc1ccccc1)[H]
SPLASH splash10-00r6-9508030000-84a659f0054f766f24c6
Source of Spectrum J-60-6437-24
Synonyms benzyl (2S)-2-({1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(4-methylphenyl)sulfanyl]-2-oxoethyl}amino)-3-phenylpropanoate S-(4'''-Methylphenyl) (1''S,2'R,4S)-2'-[N-[1''-(benzyloxycarbonyl)-2''-phenylethyl]amono]-2'-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethioate
Wiley ID 1401841