(2S)-1-[(4R)-4-{[(Benzyloxy)Carbonyl]Amino}-4-Carboxybutanoyl]-2-Indolinecarboxylic Acid

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Properties Simple | Detailed

Formula C22H22N2O7
IUPAC Name (2s)-1-[(4r)-4-(benzyloxycarbonylamino)-4-carboxy-butanoyl]indoline-2-carboxylic acid
Molecular Mass 426.419 g·mol−1
Heat of Formation -1088.5 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 487.98 Å 3
Surface Area 425.29 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(4r)-4-(benzyloxycarbonylamino)-5-hydroxy-5-keto-pentanoyl]indoline-2-carboxylic acid
  • (2s)-1-[(4r)-5-hydroxy-1,5-dioxo-4-[[oxo-(phenylmethoxy)methyl]amino]pentyl]-2-indolinecarboxylic acid
  • (2s)-1-[(4r)-5-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]-2,3-dihydroindole-2-carboxylic acid
  • (2s)-1-[(4r)-5-hydroxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]indoline-2-carboxylic acid
  • 1-(n-carbobenzoxy-gamma-glutamyl)indoline-2-carboxylic acid
  • 1-cdgic
CAS Number(s)
  • 97975-31-0
InChIKey QGHAKHPDYFMTMY-AEFFLSMTSA-N
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