3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(1,3-thiazol-5-yl)propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(1,3-thiazol-5-yl)propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl]-3-thiazol-5-yl-propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl]-3-(5-thiazolyl)propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-(1,3-thiazol-5-yl)propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino]-3-thiazol-5-yl-propionic acid Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CN=CS3

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CN=CS3

InChI

InChI=1S/C20H23N5O5S/c21-18(22)13-2-4-14(5-3-13)30-9-1-6-24-7-8-25(20(29)19(24)28)15(10-17(26)27)16-11-23-12-31-16/h2-5,11-12,15H,1,6-10H2,(H3,21,22)(H,26,27)