methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenyl-propanoate CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenylpropanoate Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]-3-phenyl-propionic acid methyl ester Formula: C28H30N6O2 MolecularWeight: 482.5768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NCCC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NCCC2=C(NC3=C2C=CC(=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H30N6O2/c1-36-28(35)24(15-17-5-3-2-4-6-17)33-14-13-22-21-12-11-20(27(31)32)16-23(21)34-25(22)18-7-9-19(10-8-18)26(29)30/h2-12,16,24,33-34H,13-15H2,1H3,(H3,29,30)(H3,31,32)