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(2R,3R)-1,4-Bis[(S)-N,N'-(1-phenylethyl)amino]-3-[N'-(tosyl)amino]-2-hydroxybutane-1,4-dione isomer

View entire compound with spectra: 1 MS (GC)

(2R,3R)-1,4-Bis[(S)-N,N'-(1-phenylethyl)amino]-3-[N'-(tosyl)amino]-2-hydroxybutane-1,4-dione isomer
SpectraBase Compound ID HvXR8GKZ3Zz
InChI InChI=1S/C27H31N3O5S/c1-18-14-16-23(17-15-18)36(34,35)30-24(26(32)28-19(2)21-10-6-4-7-11-21)25(31)27(33)29-20(3)22-12-8-5-9-13-22/h4-17,19-20,24-25,30-31H,1-3H3,(H,28,32)(H,29,33)/t19-,20-,24+,25+/m0/s1
InChIKey IYUVOVYAHVLSKD-LDTXMFMOSA-N
Mol Weight 509.62 g/mol
Molecular Formula C27H31N3O5S
Exact Mass 509.198442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3T6u7FTcO52
Name (2R,3R)-1,4-Bis[(S)-N,N'-(1-phenylethyl)amino]-3-[N'-(tosyl)amino]-2-hydroxybutane-1,4-dione isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N3O5S
InChI InChI=1S/C27H31N3O5S/c1-18-14-16-23(17-15-18)36(34,35)30-24(26(32)28-19(2)21-10-6-4-7-11-21)25(31)27(33)29-20(3)22-12-8-5-9-13-22/h4-17,19-20,24-25,30-31H,1-3H3,(H,28,32)(H,29,33)/t19-,20-,24+,25+/m0/s1
InChIKey IYUVOVYAHVLSKD-LDTXMFMOSA-N
Molecular Weight 509.621 g/mol
SMILES N([C@]([C@](C(N[C@](c1ccccc1)(C)[H])=O)(O)[H])(C(N[C@](c1ccccc1)(C)[H])=O)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-1922000000-3aa8b7f3be83aa298f2e
Source of Spectrum KD-16-3496-14
Synonyms (2R,3R)-2-hydroxy-3-{[(4-methylphenyl)sulfonyl]amino}-N(1),N(4)-bis[(1S)-1-phenylethyl]butanediamide 1,4-Bis[N,N'-(1-phenylethyl)amino]-3-[N'-(tosyl)amino]-2-hydroxybutane-1,4-dione isomer
Wiley ID 1637965