(2S,3S,4S,5R,6R)-6-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3-{[(2R)-3-[(Diaminomethylene)Amino]-2-{[(Methylamino)Acetyl]Amino}Propanoyl]Amino}-4,5-Dihydroxytetrahydro-2H-Pyran-2-Carboxamide (Non-Preferred Name)

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Properties Simple | Detailed

Formula C17H28N10O7
IUPAC Name (2s,3s,4s,5r,6r)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2r)-3-guanidino-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]-4,5-dihydroxy-tetrahydropyran-2-carboxamide
Molecular Mass 484.467 g·mol−1
Heat of Formation -1081.0 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 545.46 Å 3
Surface Area 463.38 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-keto-pyrimidin-1-yl)-3-[[(2r)-3-guanidino-2-(sarcosylamino)propanoyl]amino]-4,5-dihydroxy-tetrahydropyran-2-carboxamide
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-oxo-1-pyrimidinyl)-3-[[(2r)-3-guanidino-2-[(2-methylamino-1-oxoethyl)amino]-1-oxopropyl]amino]-4,5-dihydroxy-2-tetrahydropyrancarboxamide
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2r)-3-(diaminomethylideneamino)-2-(2-methylaminoethanoylamino)propanoyl]amino]-4,5-dihydroxy-oxane-2-carboxamide
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3-[[(2r)-3-guanidino-2-[(2-methylaminoacetyl)amino]propanoyl]amino]-4,5-dihydroxy-tetrahydropyran-2-carboxamide
  • (2s,3s,4s,5r,6r)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[[(2r)-3-(diaminomethylideneamino)-2-[(2-methylaminoacetyl)amino]propanoyl]amino]-4,5-dihydroxyoxane-2-carboxamide
  • bagougeramine a
  • beta-d-glucopyranuronamide, 4-((3-((aminoiminomethyl)amino)-n-(n-methylglycyl)-d-alanyl)amino)-1-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1,4-dideoxy-
CAS Number(s)
  • 104840-35-9
InChIKey UUOLIDLGSNSWHZ-QJHHURCWSA-N
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