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Glycine, N-[N-[N-[N-[cis-4-hydroxy-1-[N-[N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl]-D-leucyl]-D-prolyl]-N-methylglycyl]-N,3-dimethyl-L-leucyl]-L-alanyl]-N-methyl-L-2-phenyl-, methyl ester

View entire compound with spectra: 2 MS (GC)

Glycine, N-[N-[N-[N-[cis-4-hydroxy-1-[N-[N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl]-D-leucyl]-D-prolyl]-N-methylglycyl]-N,3-dimethyl-L-leucyl]-L-alanyl]-N-methyl-L-2-phenyl-, methyl ester
SpectraBase Compound ID R2wwmptv29
InChI InChI=1S/C45H66N8O12/c1-24(2)20-31(48-39(58)35(28(7)54)49-40(59)36-33(56)18-15-19-46-36)43(62)53-22-30(55)21-32(53)44(63)50(8)23-34(57)51(9)37(26(5)25(3)4)41(60)47-27(6)42(61)52(10)38(45(64)65-11)29-16-13-12-14-17-29/h12-19,24-28,30-32,35,37-38,54-56H,20-23H2,1-11H3,(H,47,60)(H,48,58)(H,49,59)
InChIKey QTXFLDNHILBGPX-UHFFFAOYSA-N
Mol Weight 911.1 g/mol
Molecular Formula C45H66N8O12
Exact Mass 910.48002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSgE4AFQTnO
Name Glycine, N-[N-[N-[N-[cis-4-hydroxy-1-[N-[N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl]-D-leucyl]-D-prolyl]-N-methylglycyl]-N,3-dimethyl-L-leucyl]-L-alanyl]-N-methyl-L-2-phenyl-, methyl ester
CAS Registry Number 36261-15-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H66N8O12
InChI InChI=1S/C45H66N8O12/c1-24(2)20-31(48-39(58)35(28(7)54)49-40(59)36-33(56)18-15-19-46-36)43(62)53-22-30(55)21-32(53)44(63)50(8)23-34(57)51(9)37(26(5)25(3)4)41(60)47-27(6)42(61)52(10)38(45(64)65-11)29-16-13-12-14-17-29/h12-19,24-28,30-32,35,37-38,54-56H,20-23H2,1-11H3,(H,47,60)(H,48,58)(H,49,59)
InChIKey QTXFLDNHILBGPX-UHFFFAOYSA-N
Molecular Weight 911.067 g/mol
SMILES N(C(C)C(N(C)C(c1ccccc1)C(=O)OC)=O)C(C(N(C(CN(C(C1CC(CN1C(C(CC(C)C)NC(C(C(C)O)NC(c1ncccc1O)=O)=O)=O)O)=O)C)=O)C)C(C)C(C)C)=O
SPLASH splash10-000f-9610000000-28ad1dd6d7b82d205a74
Source of Spectrum O-6-163-9
Synonyms Methyl 6-(1,2-dimethylpropyl)-1-(4-hydroxy-1-(2-[(3-hydroxy-2-([(3-hydroxy-2-pyridinyl)carbonyl]amino)butanoyl)amino]-4-methylpentanoyl)-2-pyrrolidinyl)-2,5,9,11-tetramethyl-1,4,7,10-tetraoxo-12-pheny 2-[2-[[2-[[2-[[4-hydroxy-1-[2-[[3-hydroxy-2-[(3-hydroxypicolinoyl)amino]butanoyl]amino]-4-methyl-pentanoyl]prolyl]-methyl-amino]acetyl]-methyl-amino]-3,4-dimethyl-pentanoyl]amino]propanoyl-methyl-amino]-2-phenyl-acetic acid methyl ester 2-[[2-[[2-[[2-[[[4-hydroxy-1-[2-[[3-hydroxy-2-[[(3-hydroxy-2-pyridinyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]-3,4-dimethyl-1-oxopentyl]amino]-1-oxopropyl]-methylamino]-2-phenylacetic acid methyl ester Etamycin acid methyl ester Methyl 2-[2-[[2-[[2-[[4-hydroxy-1-[2-[[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]-3,4-dimethyl-pentanoyl]amino]propanoyl-methyl-amino]-2-phenyl-acetate Methyl 2-[2-[[3,4-dimethyl-2-[methyl-[2-[methyl-[1-[4-methyl-2-[[3-oxidanyl-2-[(3-oxidanylpyridin-2-yl)carbonylamino]butanoyl]amino]pentanoyl]-4-oxidanyl-pyrrolidin-2-yl]carbonyl-amino]ethanoyl]amino]pentanoyl]amino]propanoyl-methyl-amino]-2-phenyl-ethanoate
Wiley ID 1418071