cyclohexyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoate

Systemtic Name: cyclohexyl 3-[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]ethanoylamino]propanoate Openeye Name: cyclohexyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-1-piperazinyl]-1-oxoethyl]amino]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[[2-[4-(4-carbamimidoylphenyl)piperazin-1-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[4-(4-amidinophenyl)piperazino]acetyl]amino]propionic acid cyclohexyl ester Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)OC(=O)CCNC(=O)CN2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H33N5O3/c23-22(24)17-6-8-18(9-7-17)27-14-12-26(13-15-27)16-20(28)25-11-10-21(29)30-19-4-2-1-3-5-19/h6-9,19H,1-5,10-16H2,(H3,23,24)(H,25,28)