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(Z)-D-SERINE-[N-BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-HYDROXYL
SpectraBase Compound ID Ajv2rVTvY6W
InChI InChI=1S/C30H45N5O11S/c1-17(2)23(27(41)44-14-21(26(39)40)34-28(42)45-13-20-11-9-8-10-12-20)35-25(38)22(15-47-16-31-19(4)36)33-24(37)18(3)32-29(43)46-30(5,6)7/h8-12,17-18,21-23H,13-16H2,1-7H3,(H,31,36)(H,32,43)(H,33,37)(H,34,42)(H,35,38)(H,39,40)/t18-,21+,22-,23-/m0/s1
InChIKey WRUABNKUOUZZQB-AWDZXFJFSA-N
Mol Weight 683.8 g/mol
Molecular Formula C30H45N5O11S
Exact Mass 683.283628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68z8MG8tHva
Name (Z)-D-SERINE-[N-BUTYLOXYCARBONYL-L-ALANINE-L-CYSTEINE-(ACETAMIDOMETHYL)-L-VALINE]-HYDROXYL
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H45N5O11S
InChI InChI=1S/C30H45N5O11S/c1-17(2)23(27(41)44-14-21(26(39)40)34-28(42)45-13-20-11-9-8-10-12-20)35-25(38)22(15-47-16-31-19(4)36)33-24(37)18(3)32-29(43)46-30(5,6)7/h8-12,17-18,21-23H,13-16H2,1-7H3,(H,31,36)(H,32,43)(H,33,37)(H,34,42)(H,35,38)(H,39,40)/t18-,21+,22-,23-/m0/s1
InChIKey WRUABNKUOUZZQB-AWDZXFJFSA-N
Literature Reference Author K.B.LORENZ,U.DIEDERICHSEN
Literature Reference Citation J.ORG.CHEM.,69,3917(2004)
Literature Reference DOI 10.1021/jo0496805
Molecular Weight 683.774 g/mol
Solvent DMSO-D6
Source File Reference UWVN21414