methyl 6-azanyl-2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]hexanoate dihydrochloride

Systemtic Name: methyl 6-azanyl-2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]hexanoate dihydrochloride Openeye Name: methyl 6-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]amino]hexanoate dihydrochloride CAS Name: 6-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-1-oxoethyl]amino]hexanoic acid methyl ester dihydrochloride IUPAC Name: methyl 6-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]amino]hexanoate dihydrochloride Traditional Name: 2-[[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetyl]amino]-6-amino-hexanoic acid methyl ester dihydrochloride Formula: C25H33Cl2N7O3 MolecularWeight: 550.48062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C25H31N7O3.2ClH/c1-35-25(34)19(4-2-3-11-26)31-21(33)13-18-17-10-9-16(24(29)30)12-20(17)32-22(18)14-5-7-15(8-6-14)23(27)28;;/h5-10,12,19,32H,2-4,11,13,26H2,1H3,(H3,27,28)(H3,29,30)(H,31,33);2*1H