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Methyl (2S)-2-{2-[2-(3-methyl-1-phenylsulfonyl-2,3-dihydro-1H-3-indolyl)acetyl]allyl(phenyl)sulphonamido}propanoate
SpectraBase Compound ID 3u8ql6zeCHK
InChI InChI=1S/C30H32N2O7S2/c1-22(20-31(23(2)29(34)39-4)40(35,36)24-13-7-5-8-14-24)28(33)19-30(3)21-32(27-18-12-11-17-26(27)30)41(37,38)25-15-9-6-10-16-25/h5-18,23H,1,19-21H2,2-4H3/t23-,30?/m0/s1
InChIKey LUEAZZOEOQDYCZ-IHOKFDBFSA-N
Mol Weight 596.7 g/mol
Molecular Formula C30H32N2O7S2
Exact Mass 596.165094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XxnXCqp9WW
Name Methyl (2S)-2-{2-[2-(3-methyl-1-phenylsulfonyl-2,3-dihydro-1H-3-indolyl)acetyl]allyl(phenyl)sulphonamido}propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32N2O7S2
InChI InChI=1S/C30H32N2O7S2/c1-22(20-31(23(2)29(34)39-4)40(35,36)24-13-7-5-8-14-24)28(33)19-30(3)21-32(27-18-12-11-17-26(27)30)41(37,38)25-15-9-6-10-16-25/h5-18,23H,1,19-21H2,2-4H3/t23-,30?/m0/s1
InChIKey LUEAZZOEOQDYCZ-IHOKFDBFSA-N
Molecular Weight 596.713 g/mol
SMILES c12N(S(=O)(=O)c3ccccc3)CC(c1cccc2)(CC(C(CN(S(=O)(=O)c1ccccc1)[C@](C(=O)OC)(C)[H])=C)=O)C
SPLASH splash10-0560-9510010000-6616d3dc52e5639967a1
Source of Spectrum KC-57-1365-4
Synonyms Methyl (2S)-2-[(2-{[3-methyl-1-(phenylsulfonyl)-2,3-dihydro-1H-indol-3-yl]acetyl}-2-propenyl)(phenylsulfonyl)amino]propanoate
Wiley ID 1622909