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Methyl 12-([(ethoxycarbonyl)sulfanyl]methyl)-15-isopropyl-6-(methoxycarbonyl)-4,10,13-trioxo-3-oxa-5,11,14-triazahexadecan-16-oate

View entire compound with spectra: 4 MS (GC)

Methyl 12-([(ethoxycarbonyl)sulfanyl]methyl)-15-isopropyl-6-(methoxycarbonyl)-4,10,13-trioxo-3-oxa-5,11,14-triazahexadecan-16-oate
SpectraBase Compound ID 2wlW60YzR7J
InChI InChI=1S/C22H37N3O10S/c1-7-34-21(30)24-14(19(28)32-5)10-9-11-16(26)23-15(12-36-22(31)35-8-2)18(27)25-17(13(3)4)20(29)33-6/h13-15,17H,7-12H2,1-6H3,(H,23,26)(H,24,30)(H,25,27)
InChIKey SVBPHWNHZPAVQC-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C22H37N3O10S
Exact Mass 535.219966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ipCzD0wv2P
Name Methyl 12-([(ethoxycarbonyl)sulfanyl]methyl)-15-isopropyl-6-(methoxycarbonyl)-4,10,13-trioxo-3-oxa-5,11,14-triazahexadecan-16-oate
CAS Registry Number 33644-11-0
Comments Note: The molecular formula of the structure shown is C22H37N3O10S - which differs from the formula reported for the mass spectrum (C22H36DN3O10S)
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Formula C22H36DN3O10S
InChI InChI=1S/C22H37N3O10S/c1-7-34-21(30)24-14(19(28)32-5)10-9-11-16(26)23-15(12-36-22(31)35-8-2)18(27)25-17(13(3)4)20(29)33-6/h13-15,17H,7-12H2,1-6H3,(H,23,26)(H,24,30)(H,25,27)
InChIKey SVBPHWNHZPAVQC-UHFFFAOYSA-N
Molecular Weight 535.609 g/mol
SMILES N(C(OCC)=O)C(CCCC(=O)NC(C(=O)NC(C(C)C)C(=O)OC)CSC(=O)OCC)C(=O)OC
SPLASH splash10-0a7j-9531000000-e41372809b6ad973ef55
Synonyms 2-(carbethoxyamino)-6-[[1-[(carbethoxythio)methyl]-2-[(1-carbomethoxy-2-methyl-propyl)amino]-2-keto-ethyl]amino]-6-keto-hexanoic acid methyl ester 2-(ethoxycarbonylamino)-6-[[3-(ethoxycarbonylthio)-1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-6-oxohexanoic acid methyl ester d-Valine, N-[S-(ethoxycarbonyl)-N-[5-[(ethoxycarbonyl)amino]-6-methoxy-1,6-dioxohexyl]-l-cysteinyl]-, methyl ester, (S)- Methyl 2-(ethoxycarbonylamino)-6-[[1-(ethoxycarbonylsulfanylmethyl)-2-[(1-methoxycarbonyl-2-methyl-propyl)amino]-2-oxo-ethyl]amino]-6-oxo-hexanoate Methyl 2-(ethoxycarbonylamino)-6-[[3-ethoxycarbonylsulfanyl-1-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoate Methyl 2-(ethoxycarbonylamino)-6-[[3-ethoxycarbonylsulfanyl-1-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-6-oxohexanoate
Wiley ID 1485424