(3S)-3-Amino-N-[(5R)-2-(Carbamoylamino)-6-Oxo-1,4,5,6-Tetrahydro-5-Pyrimidinyl]-6-[(Diaminomethylene)Amino]-N-Methylhexanamide

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Properties Simple | Detailed

Formula C13H25N9O3
IUPAC Name (3s)-3-amino-6-guanidino-n-methyl-n-[(5r)-6-oxo-2-ureido-4,5-dihydro-1h-pyrimidin-5-yl]hexanamide
Molecular Mass 355.396 g·mol−1
Heat of Formation -404.6 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 427.05 Å 3
Surface Area 390.16 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-amino-6-guanidino-n-[(5r)-4-keto-2-ureido-5,6-dihydro-3h-pyrimidin-5-yl]-n-methyl-hexanamide
  • (3s)-3-amino-6-guanidino-n-methyl-n-[(5r)-4-oxo-2-ureido-5,6-dihydro-3h-pyrimidin-5-yl]hexanamide
  • (3s)-3-amino-n-[(5r)-2-(aminocarbonylamino)-4-oxo-5,6-dihydro-3h-pyrimidin-5-yl]-6-(diaminomethylideneamino)-n-methyl-hexanamide
  • (3s)-3-amino-n-[(5r)-2-(carbamoylamino)-4-oxo-5,6-dihydro-3h-pyrimidin-5-yl]-6-(diaminomethylideneamino)-n-methylhexanamide
  • hexanamide, 3-amino-n-(2-((aminocarbonyl)amino)-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl)-6-((aminoiminomethyl)amino)-n-methyl-, (r-(r*,s*))-
  • tan 1057b
  • tan-1057a
CAS Number(s)
  • 128126-45-4
InChIKey ZMWBCGMRXBPXEU-JGVFFNPUSA-N
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