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

Systemtic Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenyl-propanoic acid CAS Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]ethylamino]-3-phenyl-propionic acid Formula: C27H28N6O2 MolecularWeight: 468.55022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O2/c28-25(29)18-8-6-17(7-9-18)24-21(20-11-10-19(26(30)31)15-22(20)33-24)12-13-32-23(27(34)35)14-16-4-2-1-3-5-16/h1-11,15,23,32-33H,12-14H2,(H3,28,29)(H3,30,31)(H,34,35)