L-Alanine, N-[N-[N-[(2-hydroxy-1-naphthalenyl)methylene]-L-valyl]-L-isoleucyl]-, ethyl ester

SpectraBase Compound ID	1R3xIR6KlTH
InChI	InChI=1S/C27H37N3O5/c1-7-17(5)24(26(33)29-18(6)27(34)35-8-2)30-25(32)23(16(3)4)28-15-21-20-12-10-9-11-19(20)13-14-22(21)31/h9-18,23-24,31H,7-8H2,1-6H3,(H,29,33)(H,30,32)/b28-15+
InChIKey	GQPQJHGVMQNNGC-RWPZCVJISA-N Google Search
Mol Weight	483.6 g/mol
Molecular Formula	C27H37N3O5
Exact Mass	483.273321 g/mol

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SpectraBase Spectrum ID	5ETilkYakFk
Name	L-Alanine, N-[N-[N-[(2-hydroxy-1-naphthalenyl)methylene]-L-valyl]-L-isoleucyl]-, ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	483.273321298 u
Formula	C27H37N3O5
InChI	InChI=1S/C27H37N3O5/c1-7-17(5)24(26(33)29-18(6)27(34)35-8-2)30-25(32)23(16(3)4)28-15-21-20-12-10-9-11-19(20)13-14-22(21)31/h9-18,23-24,31H,7-8H2,1-6H3,(H,29,33)(H,30,32)/b28-15+
InChIKey	GQPQJHGVMQNNGC-RWPZCVJISA-N
Molecular Weight	483.609 g/mol
SMILES	C1(=C2C(=CC=C1O)C=CC=C2)\C=N\[C@@](C(C)C)(C(=O)N[C@@]([C@@](C)(CC)[H])(C(=O)N[C@@](C)(C(=O)OCC)[H])[H])[H]