(3S)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-4-thiomorpholin-4-yl-butanoic acid

Systemtic Name: (3S)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-4-thiomorpholin-4-yl-butanoic acid Openeye Name: (3S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-4-oxo-4-thiomorpholino-butanoic acid CAS Name: (3S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-4-oxo-4-thiomorpholin-4-ylbutanoic acid IUPAC Name: (3S)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-4-oxo-4-thiomorpholin-4-ylbutanoic acid Traditional Name: (3S)-3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-4-keto-4-thiomorpholino-butyric acid Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)C(CC(=O)O)NC(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CSCCN1C(=O)[C@H](CC(=O)O)NC(=O)CC2CC(=NO2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H25N5O5S/c21-19(22)13-3-1-12(2-4-13)15-9-14(30-24-15)10-17(26)23-16(11-18(27)28)20(29)25-5-7-31-8-6-25/h1-4,14,16H,5-11H2,(H3,21,22)(H,23,26)(H,27,28)/t14?,16-/m0/s1