3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[2-(1H-imidazol-2-ylamino)ethyl]-3-keto-1,4-benzoxazin-7-yl]amino]-3-(3-pyridyl)propionic acid Formula: C21H22N6O4 MolecularWeight: 422.43718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)NC(CC(=O)O)C3=CN=CC=C3)CCNC4=NC=CN4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)NC(CC(=O)O)C3=CN=CC=C3)CCNC4=NC=CN4

InChI

InChI=1S/C21H22N6O4/c28-19-13-31-18-10-15(26-16(11-20(29)30)14-2-1-5-22-12-14)3-4-17(18)27(19)9-8-25-21-23-6-7-24-21/h1-7,10,12,16,26H,8-9,11,13H2,(H,29,30)(H2,23,24,25)