Diamino-N-[(4S)-5-[(2R,4R)-2-Carboxy-4-Methyl-1-Piperidinyl]-4-({[(3R)-3-Methyl-1,2,3,4-Tetrahydro-8-Quinolinyl]Sulfonyl}Amino)-5-Oxopentyl]Methaniminium

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Properties Simple | Detailed

Formula C23H37N6O5S+
IUPAC Name [(4s)-5-[(2r,4r)-2-carboxy-4-methyl-1-piperidyl]-4-[[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxo-pentyl]-(diaminomethylene)ammonium
Molecular Mass 509.642 g·mol−1
Heat of Formation 3316.3 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 544.49 Å 3
Surface Area 441.51 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -3.97 ± eV
Point Group Symmetry C1
Synonyms
  • [(4s)-5-[(2r,4r)-2-carboxy-4-methyl-1-piperidinyl]-4-[[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxopentyl]-(diaminomethylene)ammonium
  • [(4s)-5-[(2r,4r)-2-carboxy-4-methyl-1-piperidyl]-4-[[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxo-pentyl]-(diaminomethylene)ammonium
  • [(4s)-5-[(2r,4r)-2-carboxy-4-methyl-1-piperidyl]-5-keto-4-[[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentyl]-(diaminomethylene)ammonium
  • [(4s)-5-[(2r,4r)-2-carboxy-4-methyl-piperidin-1-yl]-4-[[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]-5-oxo-pentyl]-(diaminomethylidene)azanium
InChIKey KXNPVXPOPUZYGB-XYVMCAHJSA-O
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