Orbofiban

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Formula C17H23N5O4
IUPAC Name ethyl 3-[[(3s)-1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]propanoate
Molecular Mass 361.396 g·mol−1
Heat of Formation -599.9 ± 16.7 kJ·mol−1
Dipole Moment 7.88 ± 1.08 D
Volume 426.2 Å 3
Surface Area 395.62 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(3s)-1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]carbamoylamino]propionic acid ethyl ester
  • 3-[[[[(3s)-1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]amino]propanoic acid ethyl ester
  • ethyl 3-[[(3s)-1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]carbamoylamino]propanoate
  • ethyl 3-[[(3s)-1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
InChIKey VJDOPFARMOLELX-ZDUSSCGKSA-N
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