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

Systemtic Name: 2-azanyl-3-[4-[2-azanyl-3-(2-carboxyethyl)-5-oxidanyl-1H-indol-4-yl]-5-oxidanyl-1H-indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[4-[2-amino-3-(2-carboxyethyl)-5-hydroxy-1H-indol-4-yl]-5-hydroxy-1H-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[4-[2-amino-3-(2-carboxyethyl)-5-hydroxy-1H-indol-4-yl]-5-hydroxy-1H-indol-3-yl]propanoic acid IUPAC Name: 2-amino-3-[4-[2-amino-3-(2-carboxyethyl)-5-hydroxy-1H-indol-4-yl]-5-hydroxy-1H-indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[4-[2-amino-3-(2-carboxyethyl)-5-hydroxy-1H-indol-4-yl]-5-hydroxy-1H-indol-3-yl]propionic acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1NC=C2CC(C(=O)O)N)C3=C(C=CC4=C3C(=C(N4)N)CCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C2=C1NC=C2CC(C(=O)O)N)C3=C(C=CC4=C3C(=C(N4)N)CCC(=O)O)O)O

InChI

InChI=1S/C22H22N4O6/c23-11(22(31)32)7-9-8-25-12-2-4-14(27)19(17(9)12)20-15(28)5-3-13-18(20)10(21(24)26-13)1-6-16(29)30/h2-5,8,11,25-28H,1,6-7,23-24H2,(H,29,30)(H,31,32)