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L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18-heptamethyl-1,19-dioxo-21H-bilin-3-yl)acetyl]-, 1,1-dimethylethyl ester, (3R)-
SpectraBase Compound ID 3tir48SEYjZ
InChI InChI=1S/C45H64N6O7/c1-15-29-28(6)39(53)50-35(29)21-33-26(4)24(2)31(48-33)20-32-25(3)27(5)34(49-32)22-36-38(45(13,14)41(55)51-36)37(52)23-47-30(40(54)57-43(7,8)9)18-16-17-19-46-42(56)58-44(10,11)12/h20-22,30,38,47-48H,15-19,23H2,1-14H3,(H,46,56)(H,50,53)(H,51,55)/b32-20-,35-21-,36-22-/t30?,38-/m1/s1
InChIKey OEODCSVONNBRRF-MBELYTKWSA-N
Mol Weight 801.0 g/mol
Molecular Formula C45H64N6O7
Exact Mass 800.483648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwdQMY9jkTv
Name L-Lysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(17-ethyl-1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,18-heptamethyl-1,19-dioxo-21H-bilin-3-yl)acetyl]-, 1,1-dimethylethyl ester, (3R)-
CAS Registry Number 93398-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H64N6O7
InChI InChI=1S/C45H64N6O7/c1-15-29-28(6)39(53)50-35(29)21-33-26(4)24(2)31(48-33)20-32-25(3)27(5)34(49-32)22-36-38(45(13,14)41(55)51-36)37(52)23-47-30(40(54)57-43(7,8)9)18-16-17-19-46-42(56)58-44(10,11)12/h20-22,30,38,47-48H,15-19,23H2,1-14H3,(H,46,56)(H,50,53)(H,51,55)/b32-20-,35-21-,36-22-/t30?,38-/m1/s1
InChIKey OEODCSVONNBRRF-MBELYTKWSA-N
Molecular Weight 801.042 g/mol
SMILES N1C(C([C@@](C(CNC(CCCCNC(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=O)(\C1=C/C1=N\C(=C/c2[nH]c(c(c2C)C)\C=C/2NC(C(=C2CC)C)=O)C(=C1C)C)[H])(C)C)=O
SPLASH splash10-0ab9-9420000000-749fe2aa7803bfc8cd0c
Source of Spectrum AH-115-1079-0
Synonyms Amide of (3R)-(4Z,9Z,15Z)-17-ethyl-1,19-dioxo-2,2,7,8,12,13,18-heptamethyl-1,2,3,19,23,24-hexahydro-21H-bilin-3-n2-(tert-butylester of n6-tert-butoxycarbonyl-(S)-lysin)-acetic acid tert-Butyl 6-[(tert-butoxycarbonyl)amino]-2-{[2-((2Z,3R)-2-{[(2Z)-2-({5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-3,4-dimethyl-2H-pyrrol-5-yl]methylene}-4,4-dimethyl-5-oxopyrrolidinyl)-2-oxoethyl]amino}hexanoate
Wiley ID 1417175