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3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid
SpectraBase Compound ID 1D8Nme0R3se
InChI InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1
InChIKey LOXFXXGTOVWWQV-YKRRISCLSA-N
Mol Weight 424.45 g/mol
Molecular Formula C20H28N2O8
Exact Mass 424.184566 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IMxKVIASeRG
Name 3S-AMINO-5-{[1S-(3S,4-DIHYDRO-8-HYDROXY-1-OXO-1H-2-BENZOPYRAN-3-YL)-3-METHYLBUTYL]CARBAMOYL}-4S,5S-DIHYDROXYVALERIC ACID
Source of Sample Y. Shimojima, Asahi Chemical Industry Company, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O8
InChI InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1
InChIKey LOXFXXGTOVWWQV-YKRRISCLSA-N
Literature Reference J. MED. CHEM. 26, 1370(1983) Abstract-Chemical Abstracts= 99, 122155(1983)
Melting Point 139.5-140C (dec.)
Molecular Weight 424.450012
Synonyms VALERIC ACID, 3S-AMINO- 5-//1S-/3S,4-DIHYDRO-8-HYDROXY-1-OXO- 1H-2-BENZOPYRAN-3-YL/-3-METHYLBUTYL/- CARBAMOYL/-4S,5S-DIHYDROXY-,
Technique KBr WAFER