(3S)-3-({4-[(4-Carbamimidoylphenyl)Amino]-4-Oxobutanoyl}Amino)-4-Pentynoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C16H18N4O4
IUPAC Name (3s)-3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]pent-4-ynoic acid
Molecular Mass 330.339 g·mol−1
Heat of Formation -369.9 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 340.61 Å 3
Surface Area 329.39 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-[[4-[(4-amidinophenyl)amino]-4-keto-butanoyl]amino]pent-4-ynoic acid
  • (3s)-3-[[4-[(4-carbamimidoylphenyl)amino]-1,4-dioxobutyl]amino]pent-4-ynoic acid
  • (3s)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxo-butanoyl]amino]pent-4-ynoic acid
  • (3s)-3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxobutanoyl]amino]pent-4-ynoic acid
InChIKey OUZLOTRPGMFLPN-LLVKDONJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N