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(R)-(threo)-N-(2S,3S)-(2'-Acetoxy-1'-phenylethyl)-3-(1''-benzyl-3''-indolyl)-2-[(allyloxycarbonyl)amino]-5-hydroxypentanamide

View entire compound with spectra: 1 MS (GC)

(R)-(threo)-N-(2S,3S)-(2'-Acetoxy-1'-phenylethyl)-3-(1''-benzyl-3''-indolyl)-2-[(allyloxycarbonyl)amino]-5-hydroxypentanamide
SpectraBase Compound ID Fe3srA1gA78
InChI InChI=1S/C34H37N3O6/c1-3-20-42-34(41)36-32(33(40)35-30(23-43-24(2)39)26-14-8-5-9-15-26)28(18-19-38)29-22-37(21-25-12-6-4-7-13-25)31-17-11-10-16-27(29)31/h3-17,22,28,30,32,38H,1,18-21,23H2,2H3,(H,35,40)(H,36,41)/t28-,30-,32-/m0/s1
InChIKey MZJYCBBOXCENDP-LVCXIWIQSA-N
Mol Weight 583.7 g/mol
Molecular Formula C34H37N3O6
Exact Mass 583.268236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GozFhe2H7Dw
Name (R)-(threo)-N-(2S,3S)-(2'-Acetoxy-1'-phenylethyl)-3-(1''-benzyl-3''-indolyl)-2-[(allyloxycarbonyl)amino]-5-hydroxypentanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H37N3O6
InChI InChI=1S/C34H37N3O6/c1-3-20-42-34(41)36-32(33(40)35-30(23-43-24(2)39)26-14-8-5-9-15-26)28(18-19-38)29-22-37(21-25-12-6-4-7-13-25)31-17-11-10-16-27(29)31/h3-17,22,28,30,32,38H,1,18-21,23H2,2H3,(H,35,40)(H,36,41)/t28-,30-,32-/m0/s1
InChIKey MZJYCBBOXCENDP-LVCXIWIQSA-N
Molecular Weight 583.685 g/mol
SMILES N(C([C@]([C@](c1c[n](Cc2ccccc2)c2c1cccc2)(CCO)[H])(NC(=O)OCC=C)[H])=O)[C@@](COC(=O)C)(c1ccccc1)[H]
SPLASH splash10-01ox-9070000000-5bcc7d33eb7e2de26fd9
Source of Spectrum SK-26-3056-32
Synonyms (2R)-2-{[(2S,3S)-2-{[(allyloxy)carbonyl]amino}-3-(1-benzyl-1H-indol-3-yl)-5-hydroxypentanoyl]amino}-2-phenylethyl acetate (threo)-N-(2'-Acetoxy-1'-phenylethyl)-3-(1''-benzyl-3''-indolyl)-2-[(allyloxycarbonyl)amino]-5-hydroxypentanamide Acetic acid[(2R)-2-[[(2S,3S)-2-(allyloxycarbonylamino)-3-(1-benzylindol-3-yl)-5-hydroxy-pentanoyl]amino]-2-phenyl-ethyl]ester Acetic acid[(2R)-2-[[(2S,3S)-5-hydroxy-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]-3-[1-(phenylmethyl)-3-indolyl]pentyl]amino]-2-phenylethyl]ester [(2R)-2-[[(2S,3S)-2-(allyloxycarbonylamino)-3-(1-benzylindol-3-yl)-5-hydroxy-pentanoyl]amino]-2-phenyl-ethyl]acetate [(2R)-2-[[(2S,3S)-3-(1-benzylindol-3-yl)-5-hydroxy-2-(prop-2-enoxycarbonylamino)pentanoyl]amino]-2-phenylethyl]acetate [(2R)-2-[[(2S,3S)-5-oxidanyl-3-[1-(phenylmethyl)indol-3-yl]-2-(prop-2-enoxycarbonylamino)pentanoyl]amino]-2-phenyl-ethyl]ethanoate Acetic acid [(2R)-2-[[(2S,3S)-5-hydroxy-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]-3-[1-(phenylmethyl)-3-indolyl]pentyl]amino]-2-phenylethyl] ester [(2R)-2-[[(2S,3S)-3-(1-benzylindol-3-yl)-5-hydroxy-2-(prop-2-enoxycarbonylamino)pentanoyl]amino]-2-phenylethyl] acetate [(2R)-2-[[(2S,3S)-2-(allyloxycarbonylamino)-3-(1-benzylindol-3-yl)-5-hydroxy-pentanoyl]amino]-2-phenyl-ethyl] acetate [(2R)-2-[[(2S,3S)-5-oxidanyl-3-[1-(phenylmethyl)indol-3-yl]-2-(prop-2-enoxycarbonylamino)pentanoyl]amino]-2-phenyl-ethyl] ethanoate
Wiley ID 867249