3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]propanoic acid

Systemtic Name: 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]propanoic acid Openeye Name: 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]thiazol-4-yl]propanoic acid CAS Name: 3-[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-4-thiazolyl]propanoic acid IUPAC Name: 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]-1,3-thiazol-4-yl]propanoic acid Traditional Name: 3-[2-[4-(4-amidinophenyl)piperazino]thiazol-4-yl]propionic acid Formula: C17H21N5O2S MolecularWeight: 359.44594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=NC(=CS3)CCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=NC(=CS3)CCC(=O)O

InChI

InChI=1S/C17H21N5O2S/c18-16(19)12-1-4-14(5-2-12)21-7-9-22(10-8-21)17-20-13(11-25-17)3-6-15(23)24/h1-2,4-5,11H,3,6-10H2,(H3,18,19)(H,23,24)