methyl 2-[1-[3-[(4-carbamimidoylphenyl)carbonylamino]-2,2-dimethyl-butanoyl]piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[3-[(4-carbamimidoylphenyl)carbonylamino]-2,2-dimethyl-butanoyl]piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[3-[(4-carbamimidoylbenzoyl)amino]-2,2-dimethyl-butanoyl]-4-piperidyl]acetate CAS Name: 2-[1-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxobutyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[3-[(4-carbamimidoylbenzoyl)amino]-2,2-dimethylbutanoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[3-[(4-amidinobenzoyl)amino]-2,2-dimethyl-butanoyl]-4-piperidyl]acetic acid methyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)OC)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C(C)(C)C(=O)N1CCC(CC1)CC(=O)OC)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H32N4O4/c1-14(25-20(28)17-7-5-16(6-8-17)19(23)24)22(2,3)21(29)26-11-9-15(10-12-26)13-18(27)30-4/h5-8,14-15H,9-13H2,1-4H3,(H3,23,24)(H,25,28)