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Glycine, N-[1-oxo-3-(7,12,17-triethyl-3,8,13,18-tetramethyl-21H,23H-porphin-2- yl)propyl]-, ethyl ester
SpectraBase Compound ID ISWSmwlSZ3E
InChI InChI=1S/C37H45N5O3/c1-9-24-20(5)28-16-33-26(11-3)22(7)30(41-33)18-35-27(13-14-36(43)38-19-37(44)45-12-4)23(8)31(42-35)17-34-25(10-2)21(6)29(40-34)15-32(24)39-28/h15-18,39,42H,9-14,19H2,1-8H3,(H,38,43)/b28-16-,29-15-,30-18-,31-17-,32-15-,33-16-,34-17-,35-18-
InChIKey RUMMNQZAGQCUDV-BRJFWJBRSA-N
Mol Weight 607.8 g/mol
Molecular Formula C37H45N5O3
Exact Mass 607.35224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Nja4g0qTDN
Name Glycine, N-[1-oxo-3-(7,12,17-triethyl-3,8,13,18-tetramethyl-21H,23H-porphin-2- yl)propyl]-, ethyl ester
CAS Registry Number 79900-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H45N5O3
InChI InChI=1S/C37H45N5O3/c1-9-24-20(5)28-16-33-26(11-3)22(7)30(41-33)18-35-27(13-14-36(43)38-19-37(44)45-12-4)23(8)31(42-35)17-34-25(10-2)21(6)29(40-34)15-32(24)39-28/h15-18,39,42H,9-14,19H2,1-8H3,(H,38,43)/b28-16-,29-15-,30-18-,31-17-,32-15-,33-16-,34-17-,35-18-
InChIKey RUMMNQZAGQCUDV-BRJFWJBRSA-N
Molecular Weight 607.799 g/mol
SMILES [nH]1c2cc3nc(cc4c(CCC(NCC(=O)OCC)=O)c(c(cc5nc(cc1c(c2C)CC)c(c5CC)C)[nH]4)C)c(c3CC)C
SPLASH splash10-0a4i-0000419000-d57ad1d752b774d1b0dc
Source of Spectrum KC-1981-2068-0
Synonyms 21H,23H-porphine, glycine deriv. Ethyl ({3-[9,14,19-triethyl-5,10,15,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoyl}amino)acetate [2-(2-carbonylethyl)-4,6,8-triethyl-1,3,5,7-tetramethyl-porphyrinyl]-glycine ethyl ester
Wiley ID 1410690