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Methyl 4-methyl-2-{2-[2-(3-methyl-1-phenylsulfonyl-2,3-dihydro-1H-3-indolyl)acetyl]allyl(phenyl)sulphonamido}pentanoate
SpectraBase Compound ID 3TL6WXdTET4
InChI InChI=1S/C33H38N2O7S2/c1-24(2)20-30(32(37)42-5)34(43(38,39)26-14-8-6-9-15-26)22-25(3)31(36)21-33(4)23-35(29-19-13-12-18-28(29)33)44(40,41)27-16-10-7-11-17-27/h6-19,24,30H,3,20-23H2,1-2,4-5H3
InChIKey OMOQTXJTVZAJAU-UHFFFAOYSA-N
Mol Weight 638.8 g/mol
Molecular Formula C33H38N2O7S2
Exact Mass 638.212044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JXnIbz5sOE
Name Methyl 4-methyl-2-{2-[2-(3-methyl-1-phenylsulfonyl-2,3-dihydro-1H-3-indolyl)acetyl]allyl(phenyl)sulphonamido}pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H38N2O7S2
InChI InChI=1S/C33H38N2O7S2/c1-24(2)20-30(32(37)42-5)34(43(38,39)26-14-8-6-9-15-26)22-25(3)31(36)21-33(4)23-35(29-19-13-12-18-28(29)33)44(40,41)27-16-10-7-11-17-27/h6-19,24,30H,3,20-23H2,1-2,4-5H3
InChIKey OMOQTXJTVZAJAU-UHFFFAOYSA-N
Molecular Weight 638.794 g/mol
SMILES c12N(S(=O)(=O)c3ccccc3)CC(c1cccc2)(CC(C(CN(S(=O)(=O)c1ccccc1)C(C(=O)OC)CC(C)C)=C)=O)C
SPLASH splash10-00e9-4490002000-05e50948b45a4839207a
Source of Spectrum KC-57-1365-4
Synonyms Methyl 4-methyl-2-[(2-{[3-methyl-1-(phenylsulfonyl)-2,3-dihydro-1H-indol-3-yl]acetyl}-2-propenyl)(phenylsulfonyl)amino]pentanoate
Wiley ID 1622908