3-[3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]phenyl]propanoic acid

Systemtic Name: 3-[3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]phenyl]propanoic acid Openeye Name: 3-[3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]phenyl]propanoic acid CAS Name: 3-[3-[[[4-(4-carbamimidoylphenyl)butylamino]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]phenyl]propanoic acid Traditional Name: 3-[3-[4-(4-amidinophenyl)butylcarbamoylamino]phenyl]propionic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCCCCC2=CC=C(C=C2)C(=N)N)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCCCCC2=CC=C(C=C2)C(=N)N)CCC(=O)O

InChI

InChI=1S/C21H26N4O3/c22-20(23)17-10-7-15(8-11-17)4-1-2-13-24-21(28)25-18-6-3-5-16(14-18)9-12-19(26)27/h3,5-8,10-11,14H,1-2,4,9,12-13H2,(H3,22,23)(H,26,27)(H2,24,25,28)