2-[(4-carbamimidoylphenyl)methyl]-N-[(1S)-2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-N',N'-dimethyl-propanediamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[(1S)-2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-N',N'-dimethyl-propanediamide Openeye Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[(1S)-2-[(1-carbamimidoyl-4-piperidyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-N',N'-dimethyl-propanediamide CAS Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[(1S)-2-[(1-carbamimidoyl-4-piperidinyl)methylamino]-1-cyclohexyl-2-oxoethyl]-N',N'-dimethylpropanediamide IUPAC Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[(1S)-2-[(1-carbamimidoylpiperidin-4-yl)methylamino]-1-cyclohexyl-2-oxoethyl]-N',N'-dimethylpropanediamide Traditional Name: 2-(4-amidinobenzyl)-N-[(1S)-2-[(1-amidino-4-piperidyl)methylamino]-1-cyclohexyl-2-keto-ethyl]-N',N'-dimethyl-malonamide Formula: C28H44N8O3 MolecularWeight: 540.70076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(C2CCCCC2)C(=O)NCC3CCN(CC3)C(=N)N

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)N[C@@H](C2CCCCC2)C(=O)NCC3CCN(CC3)C(=N)N

InChI

InChI=1S/C28H44N8O3/c1-35(2)27(39)22(16-18-8-10-21(11-9-18)24(29)30)25(37)34-23(20-6-4-3-5-7-20)26(38)33-17-19-12-14-36(15-13-19)28(31)32/h8-11,19-20,22-23H,3-7,12-17H2,1-2H3,(H3,29,30)(H3,31,32)(H,33,38)(H,34,37)/t22?,23-/m0/s1