3-[5-(4-carbamimidoylphenyl)pent-4-ynoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pent-4-ynoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pent-4-ynoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopent-4-ynyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pent-4-ynoylamino]-3-phenylpropanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pent-4-ynoylamino]-3-phenyl-propionic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC#CC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC#CC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H21N3O3/c22-21(23)17-12-10-15(11-13-17)6-4-5-9-19(25)24-18(14-20(26)27)16-7-2-1-3-8-16/h1-3,7-8,10-13,18H,5,9,14H2,(H3,22,23)(H,24,25)(H,26,27)