dimethyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]butanedioate

Systemtic Name: dimethyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]butanedioate Openeye Name: dimethyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]butanedioate CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]butanedioate Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]succinic acid dimethyl ester Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC(C(=O)OC)NCCC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H28N6O4/c1-33-20(31)12-19(24(32)34-2)29-10-9-17-16-8-7-15(23(27)28)11-18(16)30-21(17)13-3-5-14(6-4-13)22(25)26/h3-8,11,19,29-30H,9-10,12H2,1-2H3,(H3,25,26)(H3,27,28)