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21H-Biline, L-lysine deriv

View entire compound with spectra: 2 MS (GC)

21H-Biline, L-lysine deriv
SpectraBase Compound ID IZ0NhXgoDmg
InChI InChI=1S/C44H54N6O7/c1-24-25(2)34(20-36-28(5)29(6)40(52)49-36)47-32(24)19-33-26(3)27(4)35(48-33)21-37-39(44(7,8)42(54)50-37)38(51)22-46-31(41(53)56-9)17-13-14-18-45-43(55)57-23-30-15-11-10-12-16-30/h10-12,15-16,19-21,31,39,46-47H,13-14,17-18,22-23H2,1-9H3,(H,45,55)(H,49,52)(H,50,54)/b33-19-,36-20-,37-21-
InChIKey XATFDONFQZMUHP-PTDSKGAOSA-N
Mol Weight 779.0 g/mol
Molecular Formula C44H54N6O7
Exact Mass 778.405398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFAmSibkAPd
Name 21H-Biline, L-lysine deriv
Alternate Name(s) L-Lysine, N2-[(1,2,3,19,23,24-hexahydro-2,2,7,8,12,13,17,18-octamethyl-1,19-dioxo-21H-bilin-3-yl)acetyl]-N6-[(phenylmethoxy)carbonyl]-, methyl ester, (3S)- Methyl 6-{[(benzyloxy)carbonyl]amino}-2-{[2-((2Z)-2-{[(2Z)-2-({5-[(Z)-(3,4-dimethyl-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 N.alpha.-[(3R)-(4Z,9Z,15Z)-1,19-dioxo-2,2,7,8,12,13,17,18-octamethyl-1,2,3,19,23,24-hexahydro-21H-bilin-3-yl-acetyl]-n.epsilon.-Benzyloxycarrbonyl-(S)-lysin methylester N.alpha.-[(3S)-(4Z,9Z,15Z)-1,19-dioxo-2,2,7,8,12,13,17,18-octamethyl-1,2,3,19,23,24-hexahydro-21H-bilin-3-yl-acetyl]-n.epsilon.-Benzyloxycarrbonyl-(S)-lysin methylester
CAS Registry Number 127876-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H54N6O7
InChI InChI=1S/C44H54N6O7/c1-24-25(2)34(20-36-28(5)29(6)40(52)49-36)47-32(24)19-33-26(3)27(4)35(48-33)21-37-39(44(7,8)42(54)50-37)38(51)22-46-31(41(53)56-9)17-13-14-18-45-43(55)57-23-30-15-11-10-12-16-30/h10-12,15-16,19-21,31,39,46-47H,13-14,17-18,22-23H2,1-9H3,(H,45,55)(H,49,52)(H,50,54)/b33-19-,36-20-,37-21-
InChIKey XATFDONFQZMUHP-PTDSKGAOSA-N
Molecular Weight 778.951 g/mol
SMILES N1C(C(C(C(CNC(CCCCNC(=O)OCc2ccccc2)C(=O)OC)=O)\C1=C/C1=N\C(=C/c2[nH]c(c(c2C)C)\C=C/2NC(C(=C2C)C)=O)C(=C1C)C)(C)C)=O
SPLASH splash10-002f-9563400000-840fbddc292f5445ae26
Source of Spectrum AH-120-778-8
Wiley ID 1416858