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L-Phenylalanine, N-[N-[N-[N-[[4-(dimethylamino)-1-naphthalenyl]methylene]-L-phenylalanyl]-L-phenylalanyl]-L-phenylalanyl]-, methyl ester
SpectraBase Compound ID CnWOLrdpGsm
InChI InChI=1S/C50H51N5O5/c1-55(2)46-29-28-39(40-26-16-17-27-41(40)46)34-51-42(30-35-18-8-4-9-19-35)47(56)52-43(31-36-20-10-5-11-21-36)48(57)53-44(32-37-22-12-6-13-23-37)49(58)54-45(50(59)60-3)33-38-24-14-7-15-25-38/h4-29,34,42-45H,30-33H2,1-3H3,(H,52,56)(H,53,57)(H,54,58)/b51-34+
InChIKey BBNUAUIOQQWSSY-GLWWXOLDSA-N
Mol Weight 802.0 g/mol
Molecular Formula C50H51N5O5
Exact Mass 801.38902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MTj1U2zOwZ
Name L-Phenylalanine, N-[N-[N-[N-[[4-(dimethylamino)-1-naphthalenyl]methylene]-L-phenylalanyl]-L-phenylalanyl]-L-phenylalanyl]-, methyl ester
CAS Registry Number 57237-95-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H51N5O5
InChI InChI=1S/C50H51N5O5/c1-55(2)46-29-28-39(40-26-16-17-27-41(40)46)34-51-42(30-35-18-8-4-9-19-35)47(56)52-43(31-36-20-10-5-11-21-36)48(57)53-44(32-37-22-12-6-13-23-37)49(58)54-45(50(59)60-3)33-38-24-14-7-15-25-38/h4-29,34,42-45H,30-33H2,1-3H3,(H,52,56)(H,53,57)(H,54,58)/b51-34+
InChIKey BBNUAUIOQQWSSY-GLWWXOLDSA-N
Molecular Weight 801.988 g/mol
SMILES N(C(C(OC)=O)Cc1ccccc1)C(C(Cc1ccccc1)NC(C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)\N=C\c1ccc(N(C)C)c2ccccc12)=O)=O
SPLASH splash10-004r-0911000000-fed9334ea00fe5bc70fc
Source of Spectrum O7-0-817-0
Synonyms Methyl (1E)-3,6,9,12-tetrabenzyl-1-[4-(dimethylamino)-1-naphthyl]-4,7,10-trioxo-2,5,8,11-tetraazatridec-1-en-13-oate
Wiley ID 1417186