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HO-L-HPLA(BN)-D-LEU-L-CHOI-NH2;TRANS-ROTAMER
SpectraBase Compound ID KGedBXTIbIH
InChI InChI=1S/C31H41N3O6/c1-19(2)14-25(31(39)34-26-17-23(35)11-10-22(26)16-27(34)29(32)37)33-30(38)28(36)15-20-8-12-24(13-9-20)40-18-21-6-4-3-5-7-21/h3-9,12-13,19,22-23,25-28,35-36H,10-11,14-18H2,1-2H3,(H2,32,37)(H,33,38)/t22-,23-,25+,26-,27+,28+/m1/s1
InChIKey MLECWLNSNDEHAV-RKXDADGQSA-N
Mol Weight 551.7 g/mol
Molecular Formula C31H41N3O6
Exact Mass 551.299536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChQA52vZF0p
Name HO-L-HPLA(BN)-D-LEU-L-CHOI-NH2;CIS-ROTAMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H41N3O6
InChI InChI=1S/C31H41N3O6/c1-19(2)14-25(31(39)34-26-17-23(35)11-10-22(26)16-27(34)29(32)37)33-30(38)28(36)15-20-8-12-24(13-9-20)40-18-21-6-4-3-5-7-21/h3-9,12-13,19,22-23,25-28,35-36H,10-11,14-18H2,1-2H3,(H2,32,37)(H,33,38)/t22-,23-,25+,26-,27+,28+/m1/s1
InChIKey MLECWLNSNDEHAV-RKXDADGQSA-N
Literature Reference Author N.VALLS,M.VALLRIBERA,S.CARMELI,J.BONJOCH
Literature Reference Citation ORG.LETTERS,5,447(2003)
Literature Reference DOI 10.1021/ol0273250
Molecular Weight 551.683 g/mol
Sample ID 49445
Solvent DMSO-D6