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Alanine, N-(2-hydroxy-1-oxo-3-phenylpropyl)-2-methyl-, 2-[[2-(dimethylamino)-1,1-dimethyl-2-oxoethyl]amino]-2-oxo-1-(phenylmethyl)ethyl ester, [S-(R*,R*)]-
SpectraBase Compound ID 6CNRESqtTas
InChI InChI=1S/C28H37N3O6/c1-27(2,25(35)31(5)6)30-24(34)22(18-20-15-11-8-12-16-20)37-26(36)28(3,4)29-23(33)21(32)17-19-13-9-7-10-14-19/h7-16,21-22,32H,17-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-/m0/s1
InChIKey OWNYMRDQMWYQAU-VXKWHMMOSA-N
Mol Weight 511.6 g/mol
Molecular Formula C28H37N3O6
Exact Mass 511.268236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIQXizNtZuc
Name Alanine, N-(2-hydroxy-1-oxo-3-phenylpropyl)-2-methyl-, 2-[[2-(dimethylamino)-1,1-dimethyl-2-oxoethyl]amino]-2-oxo-1-(phenylmethyl)ethyl ester, [S-(R*,R*)]-
CAS Registry Number 128858-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37N3O6
InChI InChI=1S/C28H37N3O6/c1-27(2,25(35)31(5)6)30-24(34)22(18-20-15-11-8-12-16-20)37-26(36)28(3,4)29-23(33)21(32)17-19-13-9-7-10-14-19/h7-16,21-22,32H,17-18H2,1-6H3,(H,29,33)(H,30,34)/t21-,22-/m0/s1
InChIKey OWNYMRDQMWYQAU-VXKWHMMOSA-N
Molecular Weight 511.619 g/mol
SMILES N(C([C@@](OC(C(NC([C@](Cc1ccccc1)(O)[H])=O)(C)C)=O)(Cc1ccccc1)[H])=O)C(C(N(C)C)=O)(C)C
SPLASH splash10-0a4l-9210000000-9b2c8e0df7b91513a862
Source of Spectrum H-73-227-20
Synonyms (-)-(S,S)-2-{2-[2-(2-hydroxy-3-phenylpropionamido)-2-methylpropionato]-3-phenylpropionamido}-N,N,2-trimethylpropionamide (1S)-1-benzyl-2-{[2-(dimethylamino)-1,1-dimethyl-2-oxoethyl]amino}-2-oxoethyl 2-{[(2S)-2-hydroxy-3-phenylpropanoyl]amino}-2-methylpropanoate
Wiley ID 1400659