methyl (2S)-3-[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoate

Systemtic Name: methyl (2S)-3-[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: methyl (2S)-2-(benzenesulfonamido)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]propanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(benzenesulfonamido)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate Traditional Name: (2S)-3-[[2-[(5R)-3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-2-(benzenesulfonamido)propionic acid methyl ester Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CNC(=O)C[C@H]1CC(=NO1)C2=CC=C(C=C2)C(=N)N)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O6S/c1-32-22(29)19(27-34(30,31)17-5-3-2-4-6-17)13-25-20(28)12-16-11-18(26-33-16)14-7-9-15(10-8-14)21(23)24/h2-10,16,19,27H,11-13H2,1H3,(H3,23,24)(H,25,28)/t16-,19+/m1/s1