3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(4-phenylphenyl)propionic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N3O3/c28-27(29)23-12-10-19(11-13-23)6-4-5-9-25(31)30-24(18-26(32)33)22-16-14-21(15-17-22)20-7-2-1-3-8-20/h1-3,7-8,10-17,24H,4-6,9,18H2,(H3,28,29)(H,30,31)(H,32,33)