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

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenoxyphenyl)propanoic acid Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenoxyphenyl)propanoic acid CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(4-phenoxyphenyl)propanoic acid IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(4-phenoxyphenyl)propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(4-phenoxyphenyl)propionic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=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)OC2=CC=C(C=C2)C(CC(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N3O4/c28-27(29)21-12-10-19(11-13-21)6-4-5-9-25(31)30-24(18-26(32)33)20-14-16-23(17-15-20)34-22-7-2-1-3-8-22/h1-3,7-8,10-17,24H,4-6,9,18H2,(H3,28,29)(H,30,31)(H,32,33)