L-Proline, 1-[O-(1-oxohexyl)-N-[N-(1-oxohexyl)-L-valyl]-L-tyrosyl]-, methyl ester

SpectraBase Compound ID	DHFSdByMNFi
InChI	InChI=1S/C32H49N3O7/c1-6-8-10-14-27(36)34-29(22(3)4)30(38)33-25(31(39)35-20-12-13-26(35)32(40)41-5)21-23-16-18-24(19-17-23)42-28(37)15-11-9-7-2/h16-19,22,25-26,29H,6-15,20-21H2,1-5H3,(H,33,38)(H,34,36)
InChIKey	JPPTTWFPNDFWDP-UHFFFAOYSA-N Google Search
Mol Weight	587.8 g/mol
Molecular Formula	C32H49N3O7
Exact Mass	587.357051 g/mol

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SpectraBase Spectrum ID	36B7YiwylN1
Name	L-Proline, 1-[O-(1-oxohexyl)-N-[N-(1-oxohexyl)-L-valyl]-L-tyrosyl]-, methyl ester
CAS Registry Number	56272-45-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H49N3O7
InChI	InChI=1S/C32H49N3O7/c1-6-8-10-14-27(36)34-29(22(3)4)30(38)33-25(31(39)35-20-12-13-26(35)32(40)41-5)21-23-16-18-24(19-17-23)42-28(37)15-11-9-7-2/h16-19,22,25-26,29H,6-15,20-21H2,1-5H3,(H,33,38)(H,34,36)
InChIKey	JPPTTWFPNDFWDP-UHFFFAOYSA-N
Molecular Weight	587.758 g/mol
SMILES	N(C(C(NC(Cc1ccc(cc1)OC(CCCCC)=O)C(N1CCCC1C(=O)OC)=O)=O)C(C)C)C(CCCCC)=O
SPLASH	splash10-01e9-0593000000-d835663a6d4c366734f8
Source of Spectrum	T-67-5040-0
Synonyms	Methyl 1-(2-([2-(hexanoylamino)-3-methylbutanoyl]amino)-3-[4-(hexanoyloxy)phenyl]propanoyl)-2-pyrrolidinecarboxylate 1-[2-[[2-(caproylamino)-3-methyl-butanoyl]amino]-3-(4-caproyloxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid methyl ester 1-[2-[[3-methyl-1-oxo-2-(1-oxohexylamino)butyl]amino]-1-oxo-3-[4-(1-oxohexoxy)phenyl]propyl]-2-pyrrolidinecarboxylic acid methyl ester Methyl 1-[2-[[2-(hexanoylamino)-3-methyl-butanoyl]amino]-3-(4-hexanoyloxyphenyl)propanoyl]pyrrolidine-2-carboxylate
Wiley ID	65047