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

SpectraBase Compound ID	6Fo554Vptrr
InChI	InChI=1S/C44H53N7O11/c1-5-30(46-39(56)35(26(2)52)47-40(57)37-34(54)19-12-21-45-37)41(58)50-22-13-18-31(50)42(59)49(3)33(24-27-14-8-6-9-15-27)43(60)51-23-20-29(53)25-32(51)38(55)48-36(44(61)62-4)28-16-10-7-11-17-28/h6-12,14-17,19,21,26,30-33,35-36,52,54H,5,13,18,20,22-25H2,1-4H3,(H,46,56)(H,47,57)(H,48,55)
InChIKey	SSNKWVKDKISGDX-UHFFFAOYSA-N Google Search
Mol Weight	855.9 g/mol
Molecular Formula	C44H53N7O11
Exact Mass	855.380306 g/mol

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SpectraBase Spectrum ID	3tcoQpnP4Vd
Name	Glycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl-D-.alpha.-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenyl-, methyl ester
Alternate Name(s)	Methyl 2-{[1-(2-{1-[1-(2-{3-hydroxy-2-[(3-hydroxypyridin-2-yl)formamido]butanamido}butanoyl)pyrrolidin-2-yl]-N-methylformamido}-3-phenylpropanoyl)-4-oxopiperidin-2-yl]formamido}-2-phenylacetate Staphylomycin S acid methyl ester Staphylomycin S methyl ester
CAS Registry Number	36261-12-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H53N7O11
InChI	InChI=1S/C44H53N7O11/c1-5-30(46-39(56)35(26(2)52)47-40(57)37-34(54)19-12-21-45-37)41(58)50-22-13-18-31(50)42(59)49(3)33(24-27-14-8-6-9-15-27)43(60)51-23-20-29(53)25-32(51)38(55)48-36(44(61)62-4)28-16-10-7-11-17-28/h6-12,14-17,19,21,26,30-33,35-36,52,54H,5,13,18,20,22-25H2,1-4H3,(H,46,56)(H,47,57)(H,48,55)
InChIKey	SSNKWVKDKISGDX-UHFFFAOYSA-N
Molecular Weight	855.946 g/mol
SMILES	N(C(C(C(O)C)NC(c1c(cccn1)O)=O)=O)C(C(N1C(C(N(C(C(N2C(C(NC(C(=O)OC)c3ccccc3)=O)CC(CC2)=O)=O)Cc2ccccc2)C)=O)CCC1)=O)CC
SPLASH	splash10-00di-9410000000-4ca0b68a98c5a8be9ac9
Source of Spectrum	O-6-159-5
Wiley ID	1417735