2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-pyridin-3-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-pyridin-3-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[3-(1H-imidazol-2-ylamino)-1-oxopropyl]amino]-4-[oxo(3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[3-(1H-imidazol-2-ylamino)propanoylamino]-4-nicotinoyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C22H22N6O5 MolecularWeight: 450.44728

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C(=O)C3=CN=CC=C3)C=C(C=C2)NC(=O)CCNC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C(=O)C3=CN=CC=C3)C=C(C=C2)NC(=O)CCNC4=NC=CN4)CC(=O)O

InChI

InChI=1S/C22H22N6O5/c29-19(5-7-24-22-25-8-9-26-22)27-15-3-4-18-17(10-15)28(13-16(33-18)11-20(30)31)21(32)14-2-1-6-23-12-14/h1-4,6,8-10,12,16H,5,7,11,13H2,(H,27,29)(H,30,31)(H2,24,25,26)