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	lWV8Qk0lEp
Name	L-Proline, 1-[o-(1-oxohexyl)-N-[N-(1-oxohexyl)-L-valyl]-L-tyrosyl]-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	587.357050923 u
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	C([C@](CC1=CC=C(C=C1)OC(CCCCC)=O)(NC([C@@](NC(CCCCC)=O)(C(C)C)[H])=O)[H])(=O)N1[C@](C(OC)=O)(CCC1)[H]