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Phenylalanine, N-[(phenylmethoxy)carbonyl]-.beta.-2-propynyl-, ethyl ester, threo-
SpectraBase Compound ID LI1Iy52sfBe
InChI InChI=1S/C22H23NO4/c1-3-11-19(18-14-9-6-10-15-18)20(21(24)26-4-2)23-22(25)27-16-17-12-7-5-8-13-17/h1,5-10,12-15,19-20H,4,11,16H2,2H3,(H,23,25)/t19-,20-/m1/s1
InChIKey DOKDHUHUCXDHCA-WOJBJXKFSA-N
Mol Weight 365.43 g/mol
Molecular Formula C22H23NO4
Exact Mass 365.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9is50lN4lgE
Name Phenylalanine, N-[(phenylmethoxy)carbonyl]-.beta.-2-propynyl-, ethyl ester, threo-
Alternate Name(s) Ethyl (2R*,3R)-2-[(enzyloxycarbonyl)amino]-3-phenyl-5-hexynoate Ethyl (2R,3R)-2-{[(benzyloxy)carbonyl]amino}-3-phenyl-5-hexynoate
CAS Registry Number 96666-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO4
InChI InChI=1S/C22H23NO4/c1-3-11-19(18-14-9-6-10-15-18)20(21(24)26-4-2)23-22(25)27-16-17-12-7-5-8-13-17/h1,5-10,12-15,19-20H,4,11,16H2,2H3,(H,23,25)/t19-,20-/m1/s1
InChIKey DOKDHUHUCXDHCA-WOJBJXKFSA-N
Molecular Weight 365.429 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](C(=O)OCC)([C@@](c1ccccc1)(CC#C)[H])[H]
SPLASH splash10-0006-9320000000-eff69f73015a0ceb8fb3
Source of Spectrum J-50-2335-8
Wiley ID 1351472