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.beta.-Phenylisoserine tripeptide dev.
SpectraBase Compound ID Is1lVVBGQQB
InChI InChI=1S/C40H45N3O7/c1-27(2)24-35(40(47)50-5)42-38(45)30(25-28-12-8-6-9-13-28)26-43(32-18-22-34(49-4)23-19-32)39(46)37(44)36(29-14-10-7-11-15-29)41-31-16-20-33(48-3)21-17-31/h6-23,25,27,35-37,41,44H,24,26H2,1-5H3,(H,42,45)/b30-25+/t35-,36+,37+/m0/s1
InChIKey WVIDJYYVDPBAMB-OQJQCZHCSA-N
Mol Weight 679.8 g/mol
Molecular Formula C40H45N3O7
Exact Mass 679.325751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgpxaLBb3m7
Name .beta.-Phenylisoserine tripeptide dev.
Alternate Name(s) (2S)-2-[[(E)-2-[(N-[(2R,3R)-2-hydroxy-3-(4-methoxyanilino)-1-oxo-3-phenylpropyl]-4-methoxyanilino)methyl]-1-oxo-3-phenylprop-2-enyl]amino]-4-methylpentanoic acid methyl ester Methyl (2S)-2-[[(E)-2-[(N-[(2R,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenylpropanoyl]-4-methoxyanilino)methyl]-3-phenylprop-2-enoyl]amino]-4-methylpentanoate Methyl (2S)-2-[[(E)-2-[(N-[(2R,3R)-2-hydroxy-3-(4-methoxyanilino)-3-phenyl-propanoyl]-4-methoxy-anilino)methyl]-3-phenyl-prop-2-enoyl]amino]-4-methyl-pentanoate Methyl (2S)-2-[[(E)-2-[[(4-methoxyphenyl)-[(2R,3R)-3-[(4-methoxyphenyl)amino]-2-oxidanyl-3-phenyl-propanoyl]amino]methyl]-3-phenyl-prop-2-enoyl]amino]-4-methyl-pentanoate
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Formula C40H45N3O7
InChI InChI=1S/C40H45N3O7/c1-27(2)24-35(40(47)50-5)42-38(45)30(25-28-12-8-6-9-13-28)26-43(32-18-22-34(49-4)23-19-32)39(46)37(44)36(29-14-10-7-11-15-29)41-31-16-20-33(48-3)21-17-31/h6-23,25,27,35-37,41,44H,24,26H2,1-5H3,(H,42,45)/b30-25+/t35-,36+,37+/m0/s1
InChIKey WVIDJYYVDPBAMB-OQJQCZHCSA-N
Molecular Weight 679.814 g/mol
SMILES N([C@@]([C@](C(N(C\C(C(N[C@](C(=O)OC)(CC(C)C)[H])=O)=C/c1ccccc1)c1ccc(cc1)OC)=O)(O)[H])(c1ccccc1)[H])c1ccc(cc1)OC
SPLASH splash10-03di-0090201000-5599a2aca221f442e2a1
Source of Spectrum Y1-40-1032-7
Wiley ID 1564868