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N-[(RS)-(1,1-DIOXO-1,2-THIAZETIDINE-3-YL)-ACETYL]-L-ALANYL-L-PROLINE_BENZYLESTER
SpectraBase Compound ID Bn1BW3QcCxb
InChI InChI=1S/2C19H25N3O6S/c2*1-13(20-17(23)10-15-12-29(26,27)21-15)18(24)22-9-5-8-16(22)19(25)28-11-14-6-3-2-4-7-14/h2*2-4,6-7,13,15-16,21H,5,8-12H2,1H3,(H,20,23)/t2*13-,15?,16-/m00/s1
InChIKey GCUSTHMPTUPWRR-LCSXWTHMSA-N
Mol Weight 846.97 g/mol
Molecular Formula C38H50N6O12S2
Exact Mass 846.292813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B41snkp6paW
Name N-[(RS)-(1,1-DIOXO-1,2-THIAZETIDINE-3-YL)-ACETYL]-L-ALANYL-L-PROLINE_BENZYLESTER
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50N6O12S2
InChI InChI=1S/2C19H25N3O6S/c2*1-13(20-17(23)10-15-12-29(26,27)21-15)18(24)22-9-5-8-16(22)19(25)28-11-14-6-3-2-4-7-14/h2*2-4,6-7,13,15-16,21H,5,8-12H2,1H3,(H,20,23)/t2*13-,15?,16-/m00/s1
InChIKey GCUSTHMPTUPWRR-LCSXWTHMSA-N
Literature Reference Author T.ROEHRICH,B.A.THAHER,N.MANICONE,H.H.OTTO
Literature Reference Citation MH.CHEM.,135,979(2004)
Molecular Weight 846.968 g/mol
Solvent CDCl3
Source File Reference UWMZ10882