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

Systemtic Name: methyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoyl-phenethyl-amino]propanoate Openeye Name: methyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]-phenethyl-amino]propanoate CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-oxoethyl]-phenethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]-phenethylamino]propanoate Traditional Name: 3-[[2-[4-(4-amidinophenyl)piperazino]acetyl]-phenethyl-amino]propionic acid methyl ester Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCN(CCC1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H33N5O3/c1-33-24(32)12-14-30(13-11-20-5-3-2-4-6-20)23(31)19-28-15-17-29(18-16-28)22-9-7-21(8-10-22)25(26)27/h2-10H,11-19H2,1H3,(H3,26,27)