3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-phenoxyphenyl)propanoate

Systemtic Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-phenoxyphenyl)propanoate Openeye Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-phenoxyphenyl)propanoate CAS Name: 3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]-3-(3-phenoxyphenyl)propanoate IUPAC Name: 3-[5-(4-carbamimidoylphenyl)pentanoylamino]-3-(3-phenoxyphenyl)propanoate Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(3-phenoxyphenyl)propionate Formula: C27H28N3O4- MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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