N-carboxyanthranilic acid, 1-benzyl N-{2-[alpha-(carboxyamino)-p-toluamido]ethyl}ester, tert-butyl ester

SpectraBase Compound ID	4nSRPXhj16
InChI	InChI=1S/C30H33N3O7/c1-30(2,3)40-28(36)32-19-21-13-15-23(16-14-21)26(34)31-17-18-38-29(37)33-25-12-8-7-11-24(25)27(35)39-20-22-9-5-4-6-10-22/h4-16H,17-20H2,1-3H3,(H,31,34)(H,32,36)(H,33,37)
InChIKey	RHRVBGJDKVSZEW-UHFFFAOYSA-N Google Search
Mol Weight	547.6 g/mol
Molecular Formula	C30H33N3O7
Exact Mass	547.23185 g/mol

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SpectraBase Spectrum ID	Kr2COansgr1
Name	N-Carboxyanthranilic acid, 1-benzyl N-{2-[alpha-(carboxyamino)-p-toluamido]ethyl}ester, tert-butyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	547.231850408 u
Formula	C30H33N3O7
InChI	InChI=1S/C30H33N3O7/c1-30(2,3)40-28(36)32-19-21-13-15-23(16-14-21)26(34)31-17-18-38-29(37)33-25-12-8-7-11-24(25)27(35)39-20-22-9-5-4-6-10-22/h4-16H,17-20H2,1-3H3,(H,31,34)(H,32,36)(H,33,37)
InChIKey	RHRVBGJDKVSZEW-UHFFFAOYSA-N
Molecular Weight	547.608 g/mol
SMILES	N(C(C1=CC=C(CNC(OC(C)(C)C)=O)C=C1)=O)CCOC(NC=1C=CC=CC1C(=O)OCC=1C=CC=CC1)=O