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(S,S)-(-)-N-Methyl-N-BOC-[N-[N'-[1-(N''-(3,5-dimethylphenyl)carbamyl)-2-phenylethyl]carbamyl]-2-methylpropyl]amide
SpectraBase Compound ID 3BLdA6QDP5d
InChI InChI=1S/C28H39N3O4/c1-18(2)24(31(8)27(34)35-28(5,6)7)26(33)30-23(17-21-12-10-9-11-13-21)25(32)29-22-15-19(3)14-20(4)16-22/h9-16,18,23-24H,17H2,1-8H3,(H,29,32)(H,30,33)/t23-,24-/m0/s1
InChIKey LDTBZGNNILNFKK-ZEQRLZLVSA-N
Mol Weight 481.6 g/mol
Molecular Formula C28H39N3O4
Exact Mass 481.294057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtPsklgydrP
Name (S,S)-(-)-N-Methyl-N-BOC-[N-[N'-[1-(N''-(3,5-dimethylphenyl)carbamyl)-2-phenylethyl]carbamyl]-2-methylpropyl]amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H39N3O4
InChI InChI=1S/C28H39N3O4/c1-18(2)24(31(8)27(34)35-28(5,6)7)26(33)30-23(17-21-12-10-9-11-13-21)25(32)29-22-15-19(3)14-20(4)16-22/h9-16,18,23-24H,17H2,1-8H3,(H,29,32)(H,30,33)/t23-,24-/m0/s1
InChIKey LDTBZGNNILNFKK-ZEQRLZLVSA-N
Molecular Weight 481.637 g/mol
SMILES N(C([C@@](N(C(OC(C)(C)C)=O)C)(C(C)C)[H])=O)[C@](C(Nc1cc(C)cc(c1)C)=O)(Cc1ccccc1)[H]
SPLASH splash10-008i-6900100000-43423d97bb885a968647
Source of Spectrum F-62-282-41
Synonyms tert-Butyl (1S)-1-({[(1S)-1-benzyl-2-(3,5-dimethylanilino)-2-oxoethyl]amino}carbonyl)-2-methylpropyl(methyl)carbamate
Wiley ID 1631810