Proline, 1-[N-(N-benzoyl-L-valyl)-L-tyrosyl]-, methyl ester, benzoate (ester), L-

SpectraBase Compound ID	7VIi97q44IA
InChI	InChI=1S/C34H37N3O7/c1-22(2)29(36-30(38)24-11-6-4-7-12-24)31(39)35-27(32(40)37-20-10-15-28(37)34(42)43-3)21-23-16-18-26(19-17-23)44-33(41)25-13-8-5-9-14-25/h4-9,11-14,16-19,22,27-29H,10,15,20-21H2,1-3H3,(H,35,39)(H,36,38)
InChIKey	WBORWVXIEXFBRG-UHFFFAOYSA-N Google Search
Mol Weight	599.7 g/mol
Molecular Formula	C34H37N3O7
Exact Mass	599.263151 g/mol

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SpectraBase Spectrum ID	JrEFvK062P3
Name	Proline, 1-[N-(N-benzoyl-L-valyl)-L-tyrosyl]-, methyl ester, benzoate (ester), L-
Alternate Name(s)	Methyl 1-(2-([2-(benzoylamino)-3-methylbutanoyl]amino)-3-[4-(benzoyloxy)phenyl]propanoyl)-2-pyrrolidinecarboxylate 1-[2-[(2-benzamido-3-methyl-1-oxobutyl)amino]-3-(4-benzoyloxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester 1-[2-[(2-benzamido-3-methyl-butanoyl)amino]-3-(4-benzoyloxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid methyl ester Methyl 1-[2-[(2-benzamido-3-methyl-butanoyl)amino]-3-(4-benzoyloxyphenyl)propanoyl]pyrrolidine-2-carboxylate Methyl 1-[2-[(2-benzamido-3-methyl-butanoyl)amino]-3-[4-(phenylcarbonyloxy)phenyl]propanoyl]pyrrolidine-2-carboxylate
CAS Registry Number	21026-94-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C34H37N3O7
InChI	InChI=1S/C34H37N3O7/c1-22(2)29(36-30(38)24-11-6-4-7-12-24)31(39)35-27(32(40)37-20-10-15-28(37)34(42)43-3)21-23-16-18-26(19-17-23)44-33(41)25-13-8-5-9-14-25/h4-9,11-14,16-19,22,27-29H,10,15,20-21H2,1-3H3,(H,35,39)(H,36,38)
InChIKey	WBORWVXIEXFBRG-UHFFFAOYSA-N
Molecular Weight	599.684 g/mol
SMILES	N(C(Cc1ccc(cc1)OC(c1ccccc1)=O)C(N1CCCC1C(=O)OC)=O)C(C(C(C)C)NC(c1ccccc1)=O)=O
SPLASH	splash10-00or-0892000000-32dbb5109693178319ed
Source of Spectrum	T-68-5787-0
Wiley ID	65243