(2S,3As,7As)-1-[(4R)-4-{[(Benzyloxy)Carbonyl]Amino}-4-Carboxybutanoyl]Octahydro-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H28N2O7
IUPAC Name (2s,3as,7as)-1-[(4r)-4-(benzyloxycarbonylamino)-4-carboxy-butanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular Mass 432.467 g·mol−1
Heat of Formation -1290.2 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 510.56 Å 3
Surface Area 428.22 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3as,7as)-1-[(4r)-4-(benzyloxycarbonylamino)-5-hydroxy-5-keto-pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
  • (2s,3as,7as)-1-[(4r)-5-hydroxy-1,5-dioxo-4-[[oxo-(phenylmethoxy)methyl]amino]pentyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
  • (2s,3as,7as)-1-[(4r)-5-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
  • 1-(n-carbobenzoxy-gamma-glutamyl)perhydroindoline-2-carboxylic acid
  • 1-cgpic
  • 1h-indole-1-pentanoic acid, 2-carboxyoctahydro-delta-oxo-alpha-(((phenylmethoxy)carbonyl)amino)-, (2s-(1(s*),2apha,3abeta,7abeta))-
CAS Number(s)
  • 97975-46-7
InChIKey IVXOVTQLQGFEFD-MHORFTMASA-N
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