2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-phenylalanyl)amino]-6-methyl-

SpectraBase Compound ID	KpTKwE1nyek
InChI	InChI=1S/C22H32N2O5/c1-15(2)13-17(11-12-19(25)26)23-20(27)18(14-16-9-7-6-8-10-16)24-21(28)29-22(3,4)5/h6-12,15,17-18H,13-14H2,1-5H3,(H,23,27)(H,24,28)(H,25,26)/b12-11+
InChIKey	KMAMYVMEDQARHG-VAWYXSNFSA-N Google Search
Mol Weight	404.5 g/mol
Molecular Formula	C22H32N2O5
Exact Mass	404.231122 g/mol

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SpectraBase Spectrum ID	7cEc7GivAvX
Name	2-(E)-HEPTENOIC ACID, (4S)-4-[(tert-BUTYLOXYCARBONYL-(R)-PHENYLALANYL)AMINO]-6-METHYL- (BOC-D-PHE-L-DHSOH)
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C22H32N2O5
InChI	InChI=1S/C22H32N2O5/c1-15(2)13-17(11-12-19(25)26)23-20(27)18(14-16-9-7-6-8-10-16)24-21(28)29-22(3,4)5/h6-12,15,17-18H,13-14H2,1-5H3,(H,23,27)(H,24,28)(H,25,26)/b12-11+
InChIKey	KMAMYVMEDQARHG-VAWYXSNFSA-N
Instrument Name	311A
Molecular Weight	404.2303
SMILES	N(C(C(NC(\C=C\C(O)=O)CC(C)C)=O)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH	splash10-0c00-8910000000-2c06951bf10f374eb83d
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany