methyl 4-[2-[[(1-carbamimidoylpiperidin-3-yl)carbonylamino]methyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-[[(1-carbamimidoylpiperidin-3-yl)carbonylamino]methyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-[[(1-carbamimidoylpiperidine-3-carbonyl)amino]methyl]pyrrolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[2-[[[(1-carbamimidoyl-3-piperidinyl)-oxomethyl]amino]methyl]-1-pyrrolidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-[[(1-carbamimidoylpiperidine-3-carbonyl)amino]methyl]pyrrolidin-1-yl]-4-oxobutanoate Traditional Name: 4-[2-[[(1-amidinonipecotoyl)amino]methyl]pyrrolidino]-4-keto-butyric acid methyl ester Formula: C17H29N5O4 MolecularWeight: 367.44326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCCC1CNC(=O)C2CCCN(C2)C(=N)N

Isomeric SMILES

COC(=O)CCC(=O)N1CCCC1CNC(=O)C2CCCN(C2)C(=N)N

InChI

InChI=1S/C17H29N5O4/c1-26-15(24)7-6-14(23)22-9-3-5-13(22)10-20-16(25)12-4-2-8-21(11-12)17(18)19/h12-13H,2-11H2,1H3,(H3,18,19)(H,20,25)