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L-Phenylalanine, N-[N-[N-[N2,N5-bis(1-oxodecyl)-L-ornithyl]-L-alanyl]-L-alanyl]-, methyl ester
SpectraBase Compound ID 64CTTXUrMmr
InChI InChI=1S/C41H69N5O7/c1-6-8-10-12-14-16-21-27-36(47)42-29-23-26-34(45-37(48)28-22-17-15-13-11-9-7-2)40(51)44-31(3)38(49)43-32(4)39(50)46-35(41(52)53-5)30-33-24-19-18-20-25-33/h18-20,24-25,31-32,34-35H,6-17,21-23,26-30H2,1-5H3,(H,42,47)(H,43,49)(H,44,51)(H,45,48)(H,46,50)
InChIKey INYVTPYQEXKDPP-UHFFFAOYSA-N
Mol Weight 744.0 g/mol
Molecular Formula C41H69N5O7
Exact Mass 743.5197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJOsVAlco0I
Name L-Phenylalanine, N-[N-[N-[N2,N5-bis(1-oxodecyl)-L-ornithyl]-L-alanyl]-L-alanyl]-, methyl ester
CAS Registry Number 35146-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H69N5O7
InChI InChI=1S/C41H69N5O7/c1-6-8-10-12-14-16-21-27-36(47)42-29-23-26-34(45-37(48)28-22-17-15-13-11-9-7-2)40(51)44-31(3)38(49)43-32(4)39(50)46-35(41(52)53-5)30-33-24-19-18-20-25-33/h18-20,24-25,31-32,34-35H,6-17,21-23,26-30H2,1-5H3,(H,42,47)(H,43,49)(H,44,51)(H,45,48)(H,46,50)
InChIKey INYVTPYQEXKDPP-UHFFFAOYSA-N
Molecular Weight 744.031 g/mol
SMILES N(CCCC(C(NC(C(NC(C(NC(Cc1ccccc1)C(=O)OC)=O)C)=O)C)=O)NC(CCCCCCCCC)=O)C(CCCCCCCCC)=O
SPLASH splash10-00di-0393710200-aa8048ea090bc4635790
Source of Spectrum O-6-14-3
Synonyms Methyl 2-benzyl-11-(decanoylamino)-5,8-dimethyl-4,7,10,16-tetraoxo-3,6,9,15-tetraazapentacosan-1-oate 2-[2-[2-[2,5-bis(caprylamino)pentanoylamino]propanoylamino]propanoylamino]-3-phenyl-propionic acid methyl ester 2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-2,5-bis(1-oxodecylamino)pentyl]amino]propyl]amino]propyl]amino]-3-phenylpropanoic acid methyl ester Methyl 2-[2-[2-[2,5-bis(decanoylamino)pentanoylamino]propanoylamino]propanoylamino]-3-phenyl-propanoate
Wiley ID 1416175