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2-(4-Hydroxy-4-methyl-tetrahydro-pyran-3-ylamino)-3-(1H-indol-2-yl)-propionic acid
SpectraBase Compound ID Ho7ApBOiOW6
InChI InChI=1S/C17H22N2O4/c1-17(22)6-7-23-10-15(17)19-14(16(20)21)9-12-8-11-4-2-3-5-13(11)18-12/h2-5,8,14-15,18-19,22H,6-7,9-10H2,1H3,(H,20,21)
InChIKey XSBXNUITGIFBLL-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrkjwlKaxNC
Name 2-(4-Hydroxy-4-methyl-tetrahydro-pyran-3-ylamino)-3-(1H-indol-2-yl)-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-17(22)6-7-23-10-15(17)19-14(16(20)21)9-12-8-11-4-2-3-5-13(11)18-12/h2-5,8,14-15,18-19,22H,6-7,9-10H2,1H3,(H,20,21)
InChIKey XSBXNUITGIFBLL-UHFFFAOYSA-N
Molecular Weight 318.373 g/mol
SMILES [nH]1c2ccccc2cc1CC(C(=O)O)NC1C(CCOC1)(O)C
SPLASH splash10-001i-5900000000-55ecfc4294f9926bb45a
Synonyms 2-[(4-hydroxy-4-methyl-3-oxanyl)amino]-3-(1H-indol-2-yl)propanoic acid 2-[(4-hydroxy-4-methyl-tetrahydropyran-3-yl)amino]-3-(1H-indol-2-yl)propanoic acid 2-[(4-hydroxy-4-methyloxan-3-yl)amino]-3-(1H-indol-2-yl)propanoic acid 3-(1H-indol-2-yl)-2-[(4-methyl-4-oxidanyl-oxan-3-yl)amino]propanoic acid
Wiley ID 1437140