2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-hydroxy-propanoic acid CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-hydroxypropanoic acid IUPAC Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-hydroxypropanoic acid Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]-3-hydroxy-propionic acid Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CCNC(CO)C(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=C(C3=C(N2)C=C(C=C3)C(=N)N)CCNC(CO)C(=O)O)C(=N)N

InChI

InChI=1S/C21H24N6O3/c22-19(23)12-3-1-11(2-4-12)18-15(7-8-26-17(10-28)21(29)30)14-6-5-13(20(24)25)9-16(14)27-18/h1-6,9,17,26-28H,7-8,10H2,(H3,22,23)(H3,24,25)(H,29,30)