N~1~-(3-Aminobenzyl)-N~2~-[(2S)-2-(Hydroxycarbamoyl)-4-Methylpentanoyl]-L-Aspartamide

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Formula C18H27N5O5
IUPAC Name (2s)-n-[(3-aminophenyl)methyl]-2-[[(2s)-2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]butanediamide
Molecular Mass 393.437 g·mol−1
Heat of Formation -831.9 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 480.76 Å 3
Surface Area 416.53 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(3-aminobenzyl)-2-[[(2s)-2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]succinamide
  • (2s)-n-[(2s)-4-amino-1-[(3-aminophenyl)methylamino]-1,4-dioxo-butan-2-yl]-n'-hydroxy-2-(2-methylpropyl)propanediamide
  • (2s)-n-[(3-aminophenyl)methyl]-2-[[(2s)-2-(hydroxycarbamoyl)-4-methyl-pentanoyl]amino]butanediamide
  • (2s)-n-[(3-aminophenyl)methyl]-2-[[(2s)-2-[(hydroxyamino)-oxomethyl]-4-methyl-1-oxopentyl]amino]butanediamide
  • hmi-asn-bnn
InChIKey LYVDOPZAZLWTSE-KBPBESRZSA-N
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