2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-azanyl-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-azanyl-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid; 2-amino-3-(1H-indol-3-yl)propionic acid Formula: C29H39N11O8 MolecularWeight: 669.68886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N

InChI

InChI=1S/C11H12N2O2.3C6H9N3O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;3*7-5(6(10)11)1-4-2-8-3-9-4/h1-4,6,9,13H,5,12H2,(H,14,15);3*2-3,5H,1,7H2,(H,8,9)(H,10,11)