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2-Amino-5-[[1-(carboxymethylamino)-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SpectraBase Compound ID HIO95g6zQQM
InChI InChI=1S/C12H20N4O7S/c1-14-12(23)24-5-7(10(20)15-4-9(18)19)16-8(17)3-2-6(13)11(21)22/h6-7H,2-5,13H2,1H3,(H,14,23)(H,15,20)(H,16,17)(H,18,19)(H,21,22)
InChIKey ROWIKVIWEBGFSY-UHFFFAOYSA-N
Mol Weight 364.37 g/mol
Molecular Formula C12H20N4O7S
Exact Mass 364.10527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yTrKdlWzjk
Name 2-Amino-5-[[1-(carboxymethylamino)-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Alternate Name(s) 2-Amino-5-[[1-(carboxymethylamino)-3-(methylcarbamoylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid 2-Amino-5-[[2-(carboxymethylamino)-1-(methylcarbamoylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid 2-Amino-5-[[2-(carboxymethylamino)-2-keto-1-[(methylcarbamoylthio)methyl]ethyl]amino]-5-keto-valeric acid
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Formula C12H20N4O7S
InChI InChI=1S/C12H20N4O7S/c1-14-12(23)24-5-7(10(20)15-4-9(18)19)16-8(17)3-2-6(13)11(21)22/h6-7H,2-5,13H2,1H3,(H,14,23)(H,15,20)(H,16,17)(H,18,19)(H,21,22)
InChIKey ROWIKVIWEBGFSY-UHFFFAOYSA-N
Molecular Weight 364.373 g/mol
SMILES N(C(C(CSC(=O)NC)NC(CCC(C(=O)O)N)=O)=O)CC(=O)O
SPLASH splash10-014i-0849000000-8c3c141f148ddcc483fd
Source of Spectrum KF-118-305-0
Wiley ID 848089