[4-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperazin-1-yl] 3,3-dimethylbutanoate

Systemtic Name: [4-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperazin-1-yl] 3,3-dimethylbutanoate Openeye Name: [4-[3-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperazin-1-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [4-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]-1-piperazinyl] ester IUPAC Name: [4-[3-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperazin-1-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [4-[3-[(4-amidinobenzoyl)amino]propanoyl]piperazino] ester Formula: C21H31N5O4 MolecularWeight: 417.50194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)ON1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)CC(=O)ON1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H31N5O4/c1-21(2,3)14-18(28)30-26-12-10-25(11-13-26)17(27)8-9-24-20(29)16-6-4-15(5-7-16)19(22)23/h4-7H,8-14H2,1-3H3,(H3,22,23)(H,24,29)