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Glycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl-D-.alpha.-aminobutyryl-L-prolyl-L-phenylalanyl-cis-4-hydroxy-L-pipecoloyl-L-2-phenyl-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Glycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl-D-.alpha.-aminobutyryl-L-prolyl-L-phenylalanyl-cis-4-hydroxy-L-pipecoloyl-L-2-phenyl-, methyl ester
SpectraBase Compound ID 3C4reIE9bYW
InChI InChI=1S/C43H53N7O11/c1-4-29(45-39(56)34(25(2)51)47-40(57)36-33(53)18-11-20-44-36)41(58)49-21-12-17-31(49)37(54)46-30(23-26-13-7-5-8-14-26)42(59)50-22-19-28(52)24-32(50)38(55)48-35(43(60)61-3)27-15-9-6-10-16-27/h5-11,13-16,18,20,25,28-32,34-35,51-53H,4,12,17,19,21-24H2,1-3H3,(H,45,56)(H,46,54)(H,47,57)(H,48,55)
InChIKey IULAKTWGLMEUFI-UHFFFAOYSA-N
Mol Weight 843.9 g/mol
Molecular Formula C43H53N7O11
Exact Mass 843.380306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MCHZZkFCWX
Name Glycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl-D-.alpha.-aminobutyryl-L-prolyl-L-phenylalanyl-cis-4-hydroxy-L-pipecoloyl-L-2-phenyl-, methyl ester
CAS Registry Number 36261-13-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H53N7O11
InChI InChI=1S/C43H53N7O11/c1-4-29(45-39(56)34(25(2)51)47-40(57)36-33(53)18-11-20-44-36)41(58)49-21-12-17-31(49)37(54)46-30(23-26-13-7-5-8-14-26)42(59)50-22-19-28(52)24-32(50)38(55)48-35(43(60)61-3)27-15-9-6-10-16-27/h5-11,13-16,18,20,25,28-32,34-35,51-53H,4,12,17,19,21-24H2,1-3H3,(H,45,56)(H,46,54)(H,47,57)(H,48,55)
InChIKey IULAKTWGLMEUFI-UHFFFAOYSA-N
Molecular Weight 843.935 g/mol
SMILES N(C(C(N1CCC(CC1C(NC(c1ccccc1)C(=O)OC)=O)O)=O)Cc1ccccc1)C(C1CCCN1C(C(CC)NC(C(C(C)O)NC(c1ncccc1O)=O)=O)=O)=O
SPLASH splash10-00di-9310000000-2556b8d2e1dc5964e496
Source of Spectrum O-6-160-6
Synonyms Methyl (([4-hydroxy-1-(2-([(1-(2-[(3-hydroxy-2-([(3-hydroxy-2-pyridinyl)carbonyl]amino)butanoyl)amino]butanoyl)-2-pyrrolidinyl)carbonyl]amino)-3-phenylpropanoyl)-2-piperidinyl]carbonyl)amino)(phenyl)a 2-[[4-hydroxy-1-[2-[[1-[2-[[3-hydroxy-2-[(3-hydroxypicolinoyl)amino]butanoyl]amino]butanoyl]prolyl]amino]-3-phenyl-propanoyl]pipecoloyl]amino]-2-phenyl-acetic acid methyl ester 2-[[[4-hydroxy-1-[2-[[[1-[2-[[3-hydroxy-2-[[(3-hydroxy-2-pyridinyl)-oxomethyl]amino]-1-oxobutyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-piperidinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester Methyl 2-[[4-hydroxy-1-[2-[[1-[2-[[3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]piperidine-2-carbonyl]amino]-2-phenyl-acetate Methyl 2-[[4-oxidanyl-1-[2-[[1-[2-[[3-oxidanyl-2-[(3-oxidanylpyridin-2-yl)carbonylamino]butanoyl]amino]butanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]piperidin-2-yl]carbonylamino]-2-phenyl-ethanoate Staphylomycin S2 acid methyl ester
Wiley ID 66884