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

Systemtic Name: methyl (2S)-3-[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-[(2-methylphenyl)sulfonylamino]propanoate Openeye Name: methyl (2S)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-2-(o-tolylsulfonylamino)propanoate CAS Name: (2S)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-2-[(2-methylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-[(2-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-3-[[2-[(5R)-3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-2-(o-tolylsulfonylamino)propionic acid methyl ester Formula: C23H27N5O6S MolecularWeight: 501.55538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(CNC(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]2CC(=NO2)C3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C23H27N5O6S/c1-14-5-3-4-6-20(14)35(31,32)28-19(23(30)33-2)13-26-21(29)12-17-11-18(27-34-17)15-7-9-16(10-8-15)22(24)25/h3-10,17,19,28H,11-13H2,1-2H3,(H3,24,25)(H,26,29)/t17-,19+/m1/s1