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.beta.-Allyl (2R)-[.alpha.-methylglutamyl]-gamma.-sarcosyl-[.alpha.-methyl (2R)-aspartate] triester hydrochoride
SpectraBase Compound ID 7QYvMhnPJh2
InChI InChI=1S/C17H27N3O8.Cl/c1-5-8-28-15(23)9-12(17(25)27-4)19-13(21)10-20(2)14(22)7-6-11(18)16(24)26-3;/h5,11-12H,1,6-10,18H2,2-4H3,(H,19,21);/t11-,12-;/m1./s1
InChIKey JXBOVROALMYRRQ-MNMPKAIFSA-N
Mol Weight 436.87 g/mol
Molecular Formula C17H27ClN3O8
Exact Mass 436.148668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqJUsEhHM8K
Name .beta.-Allyl (2R)-[.alpha.-methylglutamyl]-gamma.-sarcosyl-[.alpha.-methyl (2R)-aspartate] triester hydrochoride
Alternate Name(s) [(2R)-1-methoxy-5-[[2-[[(2R)-1-methoxy-1,4-dioxo-4-prop-2-enoxybutan-2-yl]amino]-2-oxoethyl]-methylamino]-1,5-dioxopentan-2-yl]ammonium;chloride [(2R)-1-methoxy-5-[[2-[[(2R)-1-methoxy-1,4-dioxo-4-prop-2-enoxybutan-2-yl]amino]-2-oxoethyl]-methylamino]-1,5-dioxopentan-2-yl]azanium;chloride [(1R)-4-[[2-[[(1R)-3-allyloxy-1-methoxycarbonyl-3-oxo-propyl]amino]-2-oxo-ethyl]-methyl-amino]-1-methoxycarbonyl-4-oxo-butyl]ammonium;chloride [(2R)-1-methoxy-5-[[2-[[(2R)-1-methoxy-1,4-bis(oxidanylidene)-4-prop-2-enoxy-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-1,5-bis(oxidanylidene)pentan-2-yl]azanium;chloride
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Formula C17H28ClN3O8
InChI InChI=1S/C17H27N3O8.Cl/c1-5-8-28-15(23)9-12(17(25)27-4)19-13(21)10-20(2)14(22)7-6-11(18)16(24)26-3;/h5,11-12H,1,6-10,18H2,2-4H3,(H,19,21);/t11-,12-;/m1./s1
InChIKey JXBOVROALMYRRQ-MNMPKAIFSA-N
Molecular Weight 437.877 g/mol
SMILES Cl.N(C(CN(C(CC[C@](C(=O)OC)(N)[H])=O)C)=O)[C@](CC(=O)OCC=C)(C(=O)OC)[H]
SPLASH splash10-000x-9210000000-965fb346051b9f48a7d0
Source of Spectrum K-2001-1684-18
Wiley ID 1579334