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(2S)-N-{(2S)-N-[(2S)-2-Chloropropionyl]prolyl}proline
SpectraBase Compound ID IMrcxVN1Ynb
InChI InChI=1S/C13H19ClN2O4/c1-8(14)11(17)15-6-2-4-9(15)12(18)16-7-3-5-10(16)13(19)20/h8-10H,2-7H2,1H3,(H,19,20)/t8-,9-,10-/m0/s1
InChIKey VIUYPHUBQNROPQ-GUBZILKMSA-N
Mol Weight 302.76 g/mol
Molecular Formula C13H19ClN2O4
Exact Mass 302.103335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJw8xr22YUa
Name (2S)-N-{(2S)-N-[(2S)-2-Chloropropionyl]prolyl}proline
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Formula C13H19ClN2O4
InChI InChI=1S/C13H19ClN2O4/c1-8(14)11(17)15-6-2-4-9(15)12(18)16-7-3-5-10(16)13(19)20/h8-10H,2-7H2,1H3,(H,19,20)/t8-,9-,10-/m0/s1
InChIKey VIUYPHUBQNROPQ-GUBZILKMSA-N
Molecular Weight 302.758 g/mol
SMILES OC([C@]1(N(C([C@]2(N(C(=O)[C@@](Cl)(C)[H])CCC2)[H])=O)CCC1)[H])=O
SPLASH splash10-03k9-6911000000-a4b3554e1cb125d42cd6
Source of Spectrum KC-0-3774-20
Synonyms (2S)-1-({(2S)-1-[(2S)-2-chloropropanoyl]pyrrolidinyl}carbonyl)-2-pyrrolidinecarboxylic acid (2S)-1-[[(2S)-1-[(2S)-2-chloro-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (2S)-1-[(2S)-1-[(2S)-2-chloropropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid (2S)-1-[(2S)-1-[(2S)-2-chloranylpropanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid
Wiley ID 826933