2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: 2-[4-[[4-(4-carbamimidoylphenyl)thiazol-2-yl]amino]-1-piperidyl]-4-methoxy-4-oxo-butanoic acid CAS Name: 2-[4-[[4-(4-carbamimidoylphenyl)-2-thiazolyl]amino]-1-piperidinyl]-4-methoxy-4-oxobutanoic acid IUPAC Name: 2-[4-[[4-(4-carbamimidoylphenyl)-1,3-thiazol-2-yl]amino]piperidin-1-yl]-4-methoxy-4-oxobutanoic acid Traditional Name: 2-[4-[[4-(4-amidinophenyl)thiazol-2-yl]amino]piperidino]-4-keto-4-methoxy-butyric acid Formula: C20H25N5O4S MolecularWeight: 431.5086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)O)N1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC(C(=O)O)N1CCC(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H25N5O4S/c1-29-17(26)10-16(19(27)28)25-8-6-14(7-9-25)23-20-24-15(11-30-20)12-2-4-13(5-3-12)18(21)22/h2-5,11,14,16H,6-10H2,1H3,(H3,21,22)(H,23,24)(H,27,28)