methyl (3S)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-4-(phenethylamino)butanoate

Systemtic Name: methyl (3S)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-4-(phenethylamino)butanoate Openeye Name: methyl (3S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-4-oxo-4-(phenethylamino)butanoate CAS Name: (3S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-4-oxo-4-(phenethylamino)butanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-4-oxo-4-(phenethylamino)butanoate Traditional Name: (3S)-3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-4-keto-4-(phenethylamino)butyric acid methyl ester Formula: C25H29N5O5 MolecularWeight: 479.52826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NCCC1=CC=CC=C1)NC(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C[C@@H](C(=O)NCCC1=CC=CC=C1)NC(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H29N5O5/c1-34-23(32)15-21(25(33)28-12-11-16-5-3-2-4-6-16)29-22(31)14-19-13-20(30-35-19)17-7-9-18(10-8-17)24(26)27/h2-10,19,21H,11-15H2,1H3,(H3,26,27)(H,28,33)(H,29,31)/t19?,21-/m0/s1