(2R,4R)-1-[N~5~-(Diaminomethylene)-N~2~-{[(3S)-3-Methyl-1,2,3,4-Tetrahydro-8-Quinolinyl]Sulfonyl}-L-Ornithyl]-4-Methyl-2-Piperidinecarboxylic Acid

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Properties Simple | Detailed

Formula C21H15N6O5S
IUPAC Name carbon dioxide; [2-[(e)-[3-cyano-1-(2,5-dihydroazepine-1-carbonyl)prop-2-ynylidene]amino]sulfonyl-1-(2-ethynylcyclopropen-1-yl)allyl]-methylidyne-ammonium; molecular nitrogen
Molecular Mass 463.446 g·mol−1
Heat of Formation -891.6 ± 16.7 kJ·mol−1
Dipole Moment 9.97 ± 1.08 D
Volume 601.76 Å 3
Surface Area 450.21 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4r)-1-[(2s)-5-(diaminomethylideneamino)-2-[[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid
  • (2r,4r)-1-[(2s)-5-(diaminomethylideneamino)-2-[[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
  • (2r,4r)-1-[(2s)-5-guanidino-2-[[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid
  • (2r,4r)-1-[(2s)-5-guanidino-2-[[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-pipecolinic acid
  • (2r,4r)-1-[(2s)-5-guanidino-2-[[(3s)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid
  • mitsubishi inhibitor
InChIKey KXNPVXPOPUZYGB-MXSMSXNCSA-N
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