2-[[1-[2-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[1-[2-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]ethanoic acid Openeye Name: 2-[[2-[2-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[[1-[2-[[(5-carbamimidoyl-1-methyl-3-pyrrolyl)methylamino]-oxomethyl]-1-pyrrolyl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid IUPAC Name: 2-[[1-[2-[(5-carbamimidoyl-1-methylpyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid Traditional Name: 2-[[2-[2-[(5-amidino-1-methyl-pyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid Formula: C23H32N6O4 MolecularWeight: 456.53798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=N)N)CNC(=O)C2=CC=CN2C(=O)C(CC3CCCCC3)NCC(=O)O

Isomeric SMILES

CN1C=C(C=C1C(=N)N)CNC(=O)C2=CC=CN2C(=O)C(CC3CCCCC3)NCC(=O)O

InChI

InChI=1S/C23H32N6O4/c1-28-14-16(11-19(28)21(24)25)12-27-22(32)18-8-5-9-29(18)23(33)17(26-13-20(30)31)10-15-6-3-2-4-7-15/h5,8-9,11,14-15,17,26H,2-4,6-7,10,12-13H2,1H3,(H3,24,25)(H,27,32)(H,30,31)