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 C23H36N6O5S
IUPAC Name (2s,4r)-1-[(2s)-5-guanidino-2-[[(3r)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methyl-piperidine-2-carboxylic acid
Molecular Mass 508.634 g·mol−1
Heat of Formation -927.6 ± 16.7 kJ·mol−1
Dipole Moment 7.99 ± 1.08 D
Volume 596.93 Å 3
Surface Area 431.45 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
InChIKey KXNPVXPOPUZYGB-LMSBXDPUSA-N
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