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PYLORICIDIN-C;3-(5-LEUCYLAMINO-2,3,4,6-TETRAHYDROXYHEXANOYL)-AMINO-3-PHENYLPROPIONIC-ACID
SpectraBase Compound ID KTVgI63L1Oj
InChI InChI=1S/C21H33N3O8/c1-11(2)8-13(22)20(31)24-15(10-25)17(28)18(29)19(30)21(32)23-14(9-16(26)27)12-6-4-3-5-7-12/h3-7,11,13-15,17-19,25,28-30H,8-10,22H2,1-2H3,(H,23,32)(H,24,31)(H,26,27)/t13?,14-,15+,17-,18-,19+/m0/s1
InChIKey PSSAPTMCCOBBEJ-AXMKVHQDSA-N
Mol Weight 455.5 g/mol
Molecular Formula C21H33N3O8
Exact Mass 455.226765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23UlwpVCylw
Name PYLORICIDIN-C;3-(5-LEUCYLAMINO-2,3,4,6-TETRAHYDROXYHEXANOYL)-AMINO-3-PHENYLPROPIONIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33N3O8
InChI InChI=1S/C21H33N3O8/c1-11(2)8-13(22)20(31)24-15(10-25)17(28)18(29)19(30)21(32)23-14(9-16(26)27)12-6-4-3-5-7-12/h3-7,11,13-15,17-19,25,28-30H,8-10,22H2,1-2H3,(H,23,32)(H,24,31)(H,26,27)/t13?,14-,15+,17-,18-,19+/m0/s1
InChIKey PSSAPTMCCOBBEJ-AXMKVHQDSA-N
Literature Reference Author Y.NAGANO,K.IKEDO,A.FUJISHIMA,M.IZAWA,S.TSUBOTANI,O.NISHIMURA ,M.FUJINO
Literature Reference Citation J.ANTIBIOTICS,54,934(2001)
Literature Reference DOI 10.7164/antibiotics.54.934
Molecular Weight 455.508 g/mol
Solvent DMSO-D6
Source File Reference UWSI2464