2-azanyl-3-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]propanoic acid Traditional Name: 3-[3-(5-amidino-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]-2-amino-propionic acid Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)CC(C(=O)O)N

InChI

InChI=1S/C24H21N5O5/c25-19(24(31)32)8-12-6-17(13-2-1-3-16(10-13)29(33)34)22(30)18(7-12)21-11-15-9-14(23(26)27)4-5-20(15)28-21/h1-7,9-11,19,28,30H,8,25H2,(H3,26,27)(H,31,32)