(2S)-2-(butoxycarbonylamino)-3-[2-[3-(4-carbamimidoyl-2-fluoranyl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-(butoxycarbonylamino)-3-[2-[3-(4-carbamimidoyl-2-fluoranyl-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]propanoic acid Openeye Name: (2S)-2-(butoxycarbonylamino)-3-[[2-[3-(4-carbamimidoyl-2-fluoro-phenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[butoxy(oxo)methyl]amino]-3-[[2-[3-(4-carbamimidoyl-2-fluorophenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-(butoxycarbonylamino)-3-[[2-[3-(4-carbamimidoyl-2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid Traditional Name: (2S)-3-[[2-[3-(4-amidino-2-fluoro-phenyl)-2-isoxazolin-5-yl]acetyl]amino]-2-(butoxycarbonylamino)propionic acid Formula: C20H26FN5O6 MolecularWeight: 451.448743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CNC(=O)CC1CC(=NO1)C2=C(C=C(C=C2)C(=N)N)F)C(=O)O

Isomeric SMILES

CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)C2=C(C=C(C=C2)C(=N)N)F)C(=O)O

InChI

InChI=1S/C20H26FN5O6/c1-2-3-6-31-20(30)25-16(19(28)29)10-24-17(27)9-12-8-15(26-32-12)13-5-4-11(18(22)23)7-14(13)21/h4-5,7,12,16H,2-3,6,8-10H2,1H3,(H3,22,23)(H,24,27)(H,25,30)(H,28,29)/t12?,16-/m0/s1