{4-[(Diaminomethylene)Amino]-1-Azabicyclo[3.1.0]Hex-2-Yl}(Valylamino)Acetic Acid

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Properties Simple | Detailed

Formula C13H24N6O3
IUPAC Name (2s)-2-[[(2s)-2-amino-3-methyl-butanoyl]amino]-2-[(2r,4r,5s)-4-guanidino-1-azabicyclo[3.1.0]hexan-2-yl]acetic acid
Molecular Mass 312.368 g·mol−1
Heat of Formation -393.2 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 387.17 Å 3
Surface Area 336.82 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
InChIKey DGIHWRUPUISVIZ-VHFNSGJGSA-N
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