methyl 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethanoyl-phenethyl-amino]propanoate

Systemtic Name: methyl 3-[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]ethanoyl-phenethyl-amino]propanoate Openeye Name: methyl 3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidyl]acetyl]-phenethyl-amino]propanoate CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-4-piperidinyl]-1-oxoethyl]-phenethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(4-carbamimidoylphenyl)piperidin-4-yl]acetyl]-phenethylamino]propanoate Traditional Name: 3-[[2-[1-(4-amidinophenyl)-4-piperidyl]acetyl]-phenethyl-amino]propionic acid methyl ester Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC1=CC=CC=C1)C(=O)CC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCN(CCC1=CC=CC=C1)C(=O)CC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H34N4O3/c1-33-25(32)14-18-30(17-11-20-5-3-2-4-6-20)24(31)19-21-12-15-29(16-13-21)23-9-7-22(8-10-23)26(27)28/h2-10,21H,11-19H2,1H3,(H3,27,28)