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L-Alanine, N-[N-[N-(1-naphthalenylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
SpectraBase Compound ID 1CL03a8PEIz
InChI InChI=1S/C27H37N3O4/c1-7-18(5)24(26(32)29-19(6)27(33)34-8-2)30-25(31)23(17(3)4)28-16-21-14-11-13-20-12-9-10-15-22(20)21/h9-19,23-24H,7-8H2,1-6H3,(H,29,32)(H,30,31)/b28-16+
InChIKey KYUAQORKBFEUSW-LQKURTRISA-N
Mol Weight 467.6 g/mol
Molecular Formula C27H37N3O4
Exact Mass 467.278407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4coH9ObZiaO
Name L-Alanine, N-[N-[N-(1-naphthalenylmethylene)-L-valyl]-L-isoleucyl]-, ethyl ester
Alternate Name(s) Ethyl 2-((3-methyl-2-[(3-methyl-2-([(E)-1-naphthylmethylidene]amino)butanoyl)amino]pentanoyl)amino)propanoate
CAS Registry Number 57237-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37N3O4
InChI InChI=1S/C27H37N3O4/c1-7-18(5)24(26(32)29-19(6)27(33)34-8-2)30-25(31)23(17(3)4)28-16-21-14-11-13-20-12-9-10-15-22(20)21/h9-19,23-24H,7-8H2,1-6H3,(H,29,32)(H,30,31)/b28-16+
InChIKey KYUAQORKBFEUSW-LQKURTRISA-N
Molecular Weight 467.610 g/mol
SMILES N(C(C(OCC)=O)C)C(C(NC(=O)C(\N=C\c1cccc2ccccc12)C(C)C)C(C)CC)=O
SPLASH splash10-0j4i-0192000000-12432775d1bf70e7b246
Source of Spectrum O7-0-817-0
Wiley ID 1392206