L-Isoleucine, N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-, methyl ester

SpectraBase Compound ID	ArVRNg55Kbl
InChI	InChI=1S/C21H32N2O5/c1-6-15(4)18(20(25)28-5)23(13-16-10-8-7-9-11-16)19(24)17(12-14(2)3)22-21(26)27/h7-11,14-15,17-18,22H,6,12-13H2,1-5H3,(H,26,27)/t15-,17-,18-/m0/s1
InChIKey	HYWLIMBYSMDOKX-SZMVWBNQSA-N Google Search
Mol Weight	392.5 g/mol
Molecular Formula	C21H32N2O5
Exact Mass	392.231122 g/mol

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SpectraBase Spectrum ID	CskBhy59iyk
Name	L-Isoleucine, N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-, methyl ester
Alternate Name(s)	(1S)-1-({benzyl[(1S,2S)-1-(methoxycarbonyl)-2-methylbutyl]amino}carbonyl)-3-methylbutylcarbamic acid Isoleucine, N-(n-carboxy-L-leucyl)-, N-benzyl methyl ester Isoleucine, N-(n-carboxy-L-leucyl)-, N-benzyl methyl ester, L- N-Carbobenzoxyleucyl-isoleucine methyl ester
CAS Registry Number	4817-98-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H32N2O5
InChI	InChI=1S/C21H32N2O5/c1-6-15(4)18(20(25)28-5)23(13-16-10-8-7-9-11-16)19(24)17(12-14(2)3)22-21(26)27/h7-11,14-15,17-18,22H,6,12-13H2,1-5H3,(H,26,27)/t15-,17-,18-/m0/s1
InChIKey	HYWLIMBYSMDOKX-SZMVWBNQSA-N
Molecular Weight	392.496 g/mol
SMILES	N(C(=O)O)[C@](C(N([C@](C(=O)OC)([C@](CC)(C)[H])[H])Cc1ccccc1)=O)(CC(C)C)[H]
SPLASH	splash10-002f-6945000000-798a528d622f389e121a
Source of Spectrum	KO-7-155-1
Wiley ID	1365784