(2S)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-(hexoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-(hexoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-2-(hexoxycarbonylamino)propanoic acid CAS Name: (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-2-[[hexoxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-(hexoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-2-(hexoxycarbonylamino)propionic acid Formula: C22H31N5O6 MolecularWeight: 461.51144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)NC(CNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCCCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C22H31N5O6/c1-2-3-4-5-10-32-22(31)26-18(21(29)30)13-25-19(28)12-16-11-17(27-33-16)14-6-8-15(9-7-14)20(23)24/h6-9,16,18H,2-5,10-13H2,1H3,(H3,23,24)(H,25,28)(H,26,31)(H,29,30)/t16?,18-/m0/s1