N-(3-{6-[(1,3-Benzothiazol-2-Ylcarbamoyl)Amino]-3-Pyridinyl}Phenyl)-L-Lysinamide

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Formula C25H27N7O2S
IUPAC Name (2s)-2,6-diamino-n-[3-[6-(1,3-benzothiazol-2-ylcarbamoylamino)-3-pyridyl]phenyl]hexanamide
Molecular Mass 489.593 g·mol−1
Heat of Formation 129.5 ± 16.7 kJ·mol−1
Dipole Moment 7.48 ± 1.08 D
Volume 571.04 Å 3
Surface Area 522.93 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2,6-diamino-n-[3-[6-(1,3-benzothiazol-2-ylcarbamoylamino)-3-pyridyl]phenyl]hexanamide
  • (2s)-2,6-diamino-n-[3-[6-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-3-pyridyl]phenyl]hexanamide
  • dpc-a69280-29
  • hexanamide, 2,6-diamino-n-[3-[6-[[(2-benzothiazolylamino)carbonyl]amino]-3-pyridinyl]phenyl]-, (2s)-
InChIKey TWSPGUBATYACRD-IBGZPJMESA-N
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