3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-carbamimidoylphenyl)butylamino]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-(4-carbamimidoylphenyl)butylcarbamoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[4-(4-amidinophenyl)butylcarbamoylamino]-3-(3-pyridyl)propionic acid Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c21-19(22)15-8-6-14(7-9-15)4-1-2-11-24-20(28)25-17(12-18(26)27)16-5-3-10-23-13-16/h3,5-10,13,17H,1-2,4,11-12H2,(H3,21,22)(H,26,27)(H2,24,25,28)