Blasticidin S

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Properties Simple | Detailed

Formula C17H26N8O5
IUPAC Name (2s,3s,6r)-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 -694.5 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 491.55 Å 3
Surface Area 396.99 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,6r)-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
  • (2s,3s,6r)-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
  • (2s,3s,6r)-3-[[(3s)-3-amino-5-(carbamimidoyl-methylamino)pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2h-pyran-2-carboxylic acid
  • (2s,3s,6r)-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
  • 2(1h)-pyrimidinone, 4-amino-1-[4-[[(3s)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-2,3,4-trideoxy-beta-d-erythro-hex-2-enopyranuronosyl]-
  • bls
InChIKey CXNPLSGKWMLZPZ-ZNIXKSQXSA-N
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