N~2~-(4-{[(2,4-Diamino-6-Pteridinyl)Methyl](Methyl)Amino}Benzoyl)-N~5~-{[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}-L-Ornithine

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Properties Simple | Detailed

Formula C32H36N10O5S
IUPAC Name carbon dioxide; [(1s)-1-(3-cyanoprop-1-ynyl)-6-(4-formamidobuta-1,3-diynylsulfamoyl)cyclohexa-2,4-dien-1-yl]imino-imino-ammonium; molecular nitrogen
Molecular Mass 672.757 g·mol−1
Heat of Formation -386.4 ± 16.7 kJ·mol−1
Dipole Moment 8.49 ± 1.08 D
Volume 764.34 Å 3
Surface Area 521.66 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-[(5-dimethylamino-1-naphthyl)sulfonylamino]pentanoic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-[(5-dimethylamino-1-naphthyl)sulfonylamino]valeric acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]-5-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]pentanoic acid
  • (2s)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]pentanoic acid
  • (2s)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-[(5-dimethylamino-1-naphthyl)sulfonylamino]pentanoic acid
  • apa-orn-dns
  • l-ornithine, n2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-n5-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-
  • n-alpha-(4-amino-4-deoxy-n(10)-methylpteroyl)-n(delta)-(5-(n,n-dimethylamino)-1-naphthalenesulfonyl)ornithine
CAS Number(s)
  • 83966-27-2
InChIKey SJVMDYMKTVEZEE-DEOSSOPVSA-N
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