N-{[(3S)-1-{4-[(Diaminomethylene)Amino]Butanoyl}-3-Piperidinyl]Carbonyl}-β-Alanine

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Properties Simple | Detailed

Formula C14H25N5O4
IUPAC Name 3-[[(3s)-1-(4-guanidinobutanoyl)piperidine-3-carbonyl]amino]propanoic acid
Molecular Mass 327.379 g·mol−1
Heat of Formation -852.5 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 393.29 Å 3
Surface Area 303.79 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
InChIKey SNOGWDOUFKAQIY-JTQLQIEISA-N
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