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(4S,5R)-2-[3-(N-Benzenesulfonyl-N-methylamino)-1-phenylthiopropyl]-4-methoxymethyl-5-phenyl-1,3-oxazoline
SpectraBase Compound ID HUvoImaRFwq
InChI InChI=1S/C27H30N2O4S2/c1-29(35(30,31)23-16-10-5-11-17-23)19-18-25(34-22-14-8-4-9-15-22)27-28-24(20-32-2)26(33-27)21-12-6-3-7-13-21/h3-17,24-26H,18-20H2,1-2H3/t24-,25?,26+/m0/s1
InChIKey ZAKDTMYGTKRYQS-KCIKGWAESA-N
Mol Weight 510.67 g/mol
Molecular Formula C27H30N2O4S2
Exact Mass 510.1647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyDxkGSLekh
Name (4S,5R)-2-[3-(N-Benzenesulfonyl-N-methylamino)-1-phenylthiopropyl]-4-methoxymethyl-5-phenyl-1,3-oxazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O4S2
InChI InChI=1S/C27H30N2O4S2/c1-29(35(30,31)23-16-10-5-11-17-23)19-18-25(34-22-14-8-4-9-15-22)27-28-24(20-32-2)26(33-27)21-12-6-3-7-13-21/h3-17,24-26H,18-20H2,1-2H3/t24-,25?,26+/m0/s1
InChIKey ZAKDTMYGTKRYQS-KCIKGWAESA-N
Molecular Weight 510.667 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)C)CC(C1=N[C@](COC)([H])[C@](O1)(c1ccccc1)[H])Sc1ccccc1
SPLASH splash10-004m-9200000000-f43336b9e783656ee939
Source of Spectrum QC-8-2440-5
Synonyms (4S,5R)-2-[3-(N-Benzenesulfonyl-N-methylamino)-(1R)-1-phenylthiopropyl]-4-methoxymethyl-5-phenyl-1,3-oxazoline N-[3-[(4S,5R)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-(phenylsulfanyl)propyl]-N-methylbenzenesulfonamide
Wiley ID 870037