3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]propyl]-3-methyl-thiophen-2-yl]propanoic acid

Systemtic Name: 3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]propyl]-3-methyl-thiophen-2-yl]propanoic acid Openeye Name: 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]propyl]-3-methyl-2-thienyl]propanoic acid CAS Name: 3-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-3-methyl-2-thiophenyl]propanoic acid IUPAC Name: 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]propyl]-3-methylthiophen-2-yl]propanoic acid Traditional Name: 3-[4-[2-[(4-amidinobenzoyl)amino]propyl]-3-methyl-2-thienyl]propionic acid Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1CC(C)NC(=O)C2=CC=C(C=C2)C(=N)N)CCC(=O)O

Isomeric SMILES

CC1=C(SC=C1CC(C)NC(=O)C2=CC=C(C=C2)C(=N)N)CCC(=O)O

InChI

InChI=1S/C19H23N3O3S/c1-11(9-15-10-26-16(12(15)2)7-8-17(23)24)22-19(25)14-5-3-13(4-6-14)18(20)21/h3-6,10-11H,7-9H2,1-2H3,(H3,20,21)(H,22,25)(H,23,24)