Methyl 2-{[(2S)-1-{[(2S)-2-Formamido-4-(Methylsulfanyl)Butanoyl]Amino}-4-Methyl-1-Oxo-2-Pentanyl]Amino}-2-Indanecarboxylate

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Properties Simple | Detailed

Formula C23H33N3O5S
IUPAC Name methyl 2-[[(1s)-1-[[(2s)-2-formamido-4-methylsulfanyl-butanoyl]carbamoyl]-3-methyl-butyl]amino]indane-2-carboxylate
Molecular Mass 463.590 g·mol−1
Heat of Formation -857.3 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 572.89 Å 3
Surface Area 444.85 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(1s)-1-[[(2s)-2-formamido-4-(methylthio)butanoyl]carbamoyl]-3-methyl-butyl]amino]indane-2-carboxylic acid methyl ester
  • 2-[[(1s)-1-[[[(2s)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-oxomethyl]-3-methylbutyl]amino]-2-indanecarboxylic acid methyl ester
  • hco-met-leu-ain-ome
  • methyl 2-[[(1s)-1-[[(2s)-2-formamido-4-methylsulfanyl-butanoyl]carbamoyl]-3-methyl-butyl]amino]indane-2-carboxylate
  • methyl 2-[[(2s)-1-[[(2s)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-1,3-dihydroindene-2-carboxylate
  • n-formylmethionyl-leucyl-2-aminoindane-2-carboxylic acid phenylalanine methyl ester
CAS Number(s)
  • 134406-59-0
InChIKey SJRDFGYKANPGLS-OALUTQOASA-N
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