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

Systemtic Name: methyl (2S)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-2-[(2-chlorophenyl)methoxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-2-[(2-chlorophenyl)methoxycarbonylamino]propanoate CAS Name: (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-2-[[(2-chlorophenyl)methoxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-[(2-chlorophenyl)methoxycarbonylamino]propanoate Traditional Name: (2S)-3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-2-[(2-chlorobenzyl)oxycarbonylamino]propionic acid methyl ester Formula: C24H26ClN5O6 MolecularWeight: 515.94614

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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)NC(=O)OCC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)[C@H](CNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)NC(=O)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H26ClN5O6/c1-34-23(32)20(29-24(33)35-13-16-4-2-3-5-18(16)25)12-28-21(31)11-17-10-19(30-36-17)14-6-8-15(9-7-14)22(26)27/h2-9,17,20H,10-13H2,1H3,(H3,26,27)(H,28,31)(H,29,33)/t17?,20-/m0/s1