2-[2-(Acridin-9-ylamino)-3-methyl-butyrylamino]-3-phenyl-propionic acid tert-butyl ester

SpectraBase Compound ID	1tpLcOSx3wB
InChI	InChI=1S/C31H35N3O3/c1-20(2)27(34-28-22-15-9-11-17-24(22)32-25-18-12-10-16-23(25)28)29(35)33-26(30(36)37-31(3,4)5)19-21-13-7-6-8-14-21/h6-18,20,26-27H,19H2,1-5H3,(H,32,34)(H,33,35)
InChIKey	LCTXPMWEAKZJNJ-UHFFFAOYSA-N Google Search
Mol Weight	497.6 g/mol
Molecular Formula	C31H35N3O3
Exact Mass	497.267842 g/mol

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SpectraBase Spectrum ID	Eeov23hkQR0
Name	2-[2-(Acridin-9-ylamino)-3-methyl-butyrylamino]-3-phenyl-propionic acid tert-butyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	497.267841996 u
Formula	C31H35N3O3
InChI	InChI=1S/C31H35N3O3/c1-20(2)27(34-28-22-15-9-11-17-24(22)32-25-18-12-10-16-23(25)28)29(35)33-26(30(36)37-31(3,4)5)19-21-13-7-6-8-14-21/h6-18,20,26-27H,19H2,1-5H3,(H,32,34)(H,33,35)
InChIKey	LCTXPMWEAKZJNJ-UHFFFAOYSA-N
Molecular Weight	497.639 g/mol
SMILES	C1(NC(C(NC(C(OC(C)(C)C)=O)CC2=CC=CC=C2)=O)C(C)C)=C2C(C=CC=C2)=NC2=C1C=CC=C2