3-[4-(4-carbamimidoylphenyl)-2-piperazin-1-yl-5H-1,3-thiazol-4-yl]propanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenyl)-2-piperazin-1-yl-5H-1,3-thiazol-4-yl]propanoic acid Openeye Name: 3-[4-(4-carbamimidoylphenyl)-2-piperazin-1-yl-5H-thiazol-4-yl]propanoic acid CAS Name: 3-[4-(4-carbamimidoylphenyl)-2-(1-piperazinyl)-5H-thiazol-4-yl]propanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenyl)-2-piperazin-1-yl-5H-1,3-thiazol-4-yl]propanoic acid Traditional Name: 3-[4-(4-amidinophenyl)-2-piperazino-2-thiazolin-4-yl]propionic acid Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(CS2)(CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCN1)C2=NC(CS2)(CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H23N5O2S/c18-15(19)12-1-3-13(4-2-12)17(6-5-14(23)24)11-25-16(21-17)22-9-7-20-8-10-22/h1-4,20H,5-11H2,(H3,18,19)(H,23,24)