(4S)-5-[[2-[[(1S)-1-[(1S)-2-Chloro-1-Hydroxy-Ethyl]-4-Guanidino-Butyl]Amino]-2-Oxo-Ethyl]Amino]-4-[[5-(Dimethylamino)-1-Naphthyl]Sulfonylamino]-5-Oxo-Pentanoic Acid

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Properties Simple | Detailed

Formula C26H38ClN7O7S
IUPAC Name (4s)-5-[[2-[[(1s)-1-[(1s)-2-chloro-1-hydroxy-ethyl]-4-guanidino-butyl]amino]-2-oxo-ethyl]amino]-4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-5-oxo-pentanoic acid
Molecular Mass 628.141 g·mol−1
Heat of Formation -1156.9 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 741.51 Å 3
Surface Area 605.89 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey AKFRXQNHCCSRJN-IRFCIJBXSA-N
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Elements C Cl H O N S