N-[(2E)-3-(2-Furyl)-2-Propenoyl]-L-Alanyl-N~5~-(Diaminomethylene)-L-Ornithine

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Properties Simple | Detailed

Formula C16H23N5O5
IUPAC Name (2s)-5-(diaminomethyleneammonio)-2-[[(2s)-2-[[(e)-3-(2-furyl)prop-2-enoyl]amino]propanoyl]amino]pentanoate
Molecular Mass 365.384 g·mol−1
Heat of Formation -699.1 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 439.11 Å 3
Surface Area 405.39 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5-(diaminomethyleneazaniumyl)-2-[[(2s)-2-[[(e)-3-(2-furyl)-1-oxoprop-2-enyl]amino]-1-oxopropyl]amino]pentanoate
  • (2s)-5-(diaminomethyleneazaniumyl)-2-[[(2s)-2-[[(e)-3-(2-furyl)acryloyl]amino]propanoyl]amino]valerate
  • (2s)-5-(diaminomethyleneazaniumyl)-2-[[(2s)-2-[[(e)-3-(2-furyl)prop-2-enoyl]amino]propanoyl]amino]pentanoate
  • (2s)-5-(diaminomethylideneazaniumyl)-2-[[(2s)-2-[[(e)-3-furan-2-ylprop-2-enoyl]amino]propanoyl]amino]pentanoate
CAS Number(s)
  • 76079-06-6
InChIKey KVMXOYCJJRUPKZ-RIVSHMCHSA-N
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