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

Systemtic Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-pyridin-3-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[4-(1H-imidazol-2-ylamino)-1-oxobutyl]amino]-4-[oxo(3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[4-(1H-imidazol-2-ylamino)butanoylamino]-4-nicotinoyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C23H24N6O5 MolecularWeight: 464.47386

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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)CCCNC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C(=O)C3=CN=CC=C3)C=C(C=C2)NC(=O)CCCNC4=NC=CN4)CC(=O)O

InChI

InChI=1S/C23H24N6O5/c30-20(4-2-8-25-23-26-9-10-27-23)28-16-5-6-19-18(11-16)29(14-17(34-19)12-21(31)32)22(33)15-3-1-7-24-13-15/h1,3,5-7,9-11,13,17H,2,4,8,12,14H2,(H,28,30)(H,31,32)(H2,25,26,27)