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2-(2-Ethoxycarbonyl-acetylamino)-3-[2-(2-ethoxycarbonyl-acetylamino)-2-methoxycarbonyl-ethyldisulfanyl]-propionic acid methyl ester
SpectraBase Compound ID FKBUFq0VRc1
InChI InChI=1S/C18H28N2O10S2/c1-5-29-15(23)7-13(21)19-11(17(25)27-3)9-31-32-10-12(18(26)28-4)20-14(22)8-16(24)30-6-2/h11-12H,5-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKey KLERCILWZABOMQ-UHFFFAOYSA-N
Mol Weight 496.55 g/mol
Molecular Formula C18H28N2O10S2
Exact Mass 496.118537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IawDgeKNs22
Name 2-(2-Ethoxycarbonyl-acetylamino)-3-[2-(2-ethoxycarbonyl-acetylamino)-2-methoxycarbonyl-ethyldisulfanyl]-propionic acid methyl ester
Alternate Name(s) Ethyl 8,13-bis(methoxycarbonyl)-4,6,15-trioxo-3-oxa-10,11-dithia-7,14-diazaheptadecan-17-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28N2O10S2
InChI InChI=1S/C18H28N2O10S2/c1-5-29-15(23)7-13(21)19-11(17(25)27-3)9-31-32-10-12(18(26)28-4)20-14(22)8-16(24)30-6-2/h11-12H,5-10H2,1-4H3,(H,19,21)(H,20,22)
InChIKey KLERCILWZABOMQ-UHFFFAOYSA-N
Molecular Weight 496.546 g/mol
SMILES N(C(CC(=O)OCC)=O)C(CSSCC(NC(CC(=O)OCC)=O)C(=O)OC)C(=O)OC
SPLASH splash10-015j-9860000000-0905e51c9986c2e65209
Wiley ID 1438835