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

SpectraBase Compound ID	6ZnaZe5rCli
InChI	InChI=1S/C19H28N2O3/c1-4-24-18(22)11-10-16(12-14(2)3)21-19(23)17(20)13-15-8-6-5-7-9-15/h5-11,14,16-17H,4,12-13,20H2,1-3H3,(H,21,23)/b11-10+
InChIKey	ZZGKDFSAIVSHFH-ZHACJKMWSA-N Google Search
Mol Weight	332.44 g/mol
Molecular Formula	C19H28N2O3
Exact Mass	332.209993 g/mol

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SpectraBase Spectrum ID	JznpN6ZzIjH
Name	2-(E)-Heptenoic acid, (4S)-4-[((S)-phenylalanyl)amino]-6-methyl-, ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	332.209992767 u
Formula	C19H28N2O3
InChI	InChI=1S/C19H28N2O3/c1-4-24-18(22)11-10-16(12-14(2)3)21-19(23)17(20)13-15-8-6-5-7-9-15/h5-11,14,16-17H,4,12-13,20H2,1-3H3,(H,21,23)/b11-10+
InChIKey	ZZGKDFSAIVSHFH-ZHACJKMWSA-N
Molecular Weight	332.444 g/mol
SMILES	C1(=CC=CC=C1)C[C@@](C(=O)N[C@](\C=C\C(OCC)=O)(CC(C)C)[H])(N)[H]