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3-[4-[5-[4-(3-keto-3-methoxy-propyl)-N-tosyl-anilino]pentyl-tosyl-amino]phenyl]propionic acid methyl ester
SpectraBase Compound ID 3Es1zBsopbx
InChI InChI=1S/C39H46N2O8S2/c1-30-8-22-36(23-9-30)50(44,45)40(34-18-12-32(13-19-34)16-26-38(42)48-3)28-6-5-7-29-41(51(46,47)37-24-10-31(2)11-25-37)35-20-14-33(15-21-35)17-27-39(43)49-4/h8-15,18-25H,5-7,16-17,26-29H2,1-4H3
InChIKey URZZAZSEKCTPHH-UHFFFAOYSA-N
Mol Weight 734.9 g/mol
Molecular Formula C39H46N2O8S2
Exact Mass 734.269559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jc8b0pnGu4e
Name 3-[4-[5-[4-(3-keto-3-methoxy-propyl)-N-tosyl-anilino]pentyl-tosyl-amino]phenyl]propionic acid methyl ester
Alternate Name(s) 3-[4-[5-[4-(3-methoxy-3-oxopropyl)-N-(4-methylphenyl)sulfonylanilino]pentyl-(4-methylphenyl)sulfonylamino]phenyl]propanoic acid methyl ester Methyl 3-[4-[5-[4-(3-methoxy-3-oxo-propyl)-N-(p-tolylsulfonyl)anilino]pentyl-(p-tolylsulfonyl)amino]phenyl]propanoate Methyl 3-[4-[5-[4-(3-methoxy-3-oxopropyl)-N-(4-methylphenyl)sulfonylanilino]pentyl-(4-methylphenyl)sulfonylamino]phenyl]propanoate Methyl 3-[4-[5-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]-(4-methylphenyl)sulfonyl-amino]pentyl-(4-methylphenyl)sulfonyl-amino]phenyl]propanoate
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Formula C39H46N2O8S2
InChI InChI=1S/C39H46N2O8S2/c1-30-8-22-36(23-9-30)50(44,45)40(34-18-12-32(13-19-34)16-26-38(42)48-3)28-6-5-7-29-41(51(46,47)37-24-10-31(2)11-25-37)35-20-14-33(15-21-35)17-27-39(43)49-4/h8-15,18-25H,5-7,16-17,26-29H2,1-4H3
InChIKey URZZAZSEKCTPHH-UHFFFAOYSA-N
Molecular Weight 734.923 g/mol
SMILES c1(N(S(c2ccc(cc2)C)(=O)=O)CCCCCN(S(c2ccc(cc2)C)(=O)=O)c2ccc(cc2)CCC(=O)OC)ccc(cc1)CCC(=O)OC
SPLASH splash10-00mp-3941020100-ca96de82376f8966e376
Source of Spectrum KC-0-86-9
Wiley ID 782888