methyl 5-azanyl-2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]pentanoate dihydrochloride

Systemtic Name: methyl 5-azanyl-2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoylamino]pentanoate dihydrochloride Openeye Name: methyl 5-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]amino]pentanoate dihydrochloride CAS Name: 5-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-1-oxoethyl]amino]pentanoic acid methyl ester dihydrochloride IUPAC Name: methyl 5-amino-2-[[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]amino]pentanoate dihydrochloride Traditional Name: 2-[[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetyl]amino]-5-amino-valeric acid methyl ester dihydrochloride Formula: C24H31Cl2N7O3 MolecularWeight: 536.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H29N7O3.2ClH/c1-34-24(33)18(3-2-10-25)30-20(32)12-17-16-9-8-15(23(28)29)11-19(16)31-21(17)13-4-6-14(7-5-13)22(26)27;;/h4-9,11,18,31H,2-3,10,12,25H2,1H3,(H3,26,27)(H3,28,29)(H,30,32);2*1H