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METHYL-(2S.4S)-N-[(2R)-N-[(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL]-ALANYL]-4-(ACETYLTHIO)-PROLINATE
SpectraBase Compound ID 7CX041doUys
InChI InChI=1S/C19H28ClN3O6S/c1-10(20)17(26)22-7-5-6-14(22)16(25)21-11(2)18(27)23-9-13(30-12(3)24)8-15(23)19(28)29-4/h10-11,13-15H,5-9H2,1-4H3,(H,21,25)/t10-,11+,13?,14-,15?/m1/s1
InChIKey QRMDLHNJNJBXME-IVUCFWDJSA-N
Mol Weight 461.96 g/mol
Molecular Formula C19H28ClN3O6S
Exact Mass 461.138735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vPcgUjwJmm
Name METHYL-(2S.4S)-N-[(2R)-N-[(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL]-ALANYL]-4-(ACETYLTHIO)-PROLINATE
Compound Number 15-TTC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28ClN3O6S
InChI InChI=1S/C19H28ClN3O6S/c1-10(20)17(26)22-7-5-6-14(22)16(25)21-11(2)18(27)23-9-13(30-12(3)24)8-15(23)19(28)29-4/h10-11,13-15H,5-9H2,1-4H3,(H,21,25)/t10-,11+,13?,14-,15?/m1/s1
InChIKey QRMDLHNJNJBXME-IVUCFWDJSA-N
Literature Reference Author A.LEWIS,T.J.RUTHERFORD,J.WILKIE,T.JENN,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3795(1998)
Literature Reference DOI 10.1039/a806032k
Molecular Weight 461.961 g/mol
Solvent CDCl3
Source File Reference UWCP9245