4-Amino-1-(4-{[(3S)-3-Amino-5-(N-Methylcarbamimidamido)Pentanoyl]Amino}-2,3,4-Trideoxy-β-L-Erythro-Hex-2-Enopyranuronosyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C17H26N8O5+
IUPAC Name (2r,3r,6s)-3-[[(3s)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
Molecular Mass 422.439 g·mol−1
Heat of Formation -638.0 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 499.74 Å 3
Surface Area 416.39 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,6s)-3-[[(3s)-3-amino-5-(carbamimidoyl-methyl-amino)pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • (2r,3r,6s)-3-[[(3s)-3-amino-5-(carbamimidoyl-methylamino)-1-oxopentyl]amino]-6-(4-amino-2-oxo-1-pyrimidinyl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • (2r,3r,6s)-3-[[(3s)-3-amino-5-(carbamimidoyl-methylamino)pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • (2r,3r,6s)-3-[[(3s)-5-(amidino-methyl-amino)-3-amino-pentanoyl]amino]-6-(4-amino-2-keto-pyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • 1-(1'-cytosinyl)-4-(l-3'-amino-5'-(1''-n-methylguanidino)valerylamino)-1,2,3,4-tetradeoxy-beta-d-erythro-hex-2-enuronic acid
  • beta-d-erythro-hex-2-enopyranuronic acid, 4-((3-amino-5-((aminoiminomethyl)methylamino)-1-oxopentyl)amino)-1-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1,2,3,4-tetradeoxy-, (s)-
  • bla-s
  • blasticidin
  • blasticidin-s
  • d-erythro-hex-2-enopyranuronic acid, 4-(3-amino-5-(1-methylguanidino)valeramido)-1-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1,2,3,4-tetradeoxy-
CAS Number(s)
  • 12767-55-4
  • 13184-51-5
  • 7562-21-2
  • 11002-92-9
  • 11028-10-7
InChIKey CXNPLSGKWMLZPZ-GIFSMMMISA-N
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