2-[6-[5-(pyridin-2-ylamino)pentanoylamino]-4-pyridin-3-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[5-(pyridin-2-ylamino)pentanoylamino]-4-pyridin-3-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-(pyridine-3-carbonyl)-6-[5-(2-pyridylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]-4-[oxo(3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-(pyridine-3-carbonyl)-6-[5-(pyridin-2-ylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-nicotinoyl-6-[5-(2-pyridylamino)pentanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C26H27N5O5 MolecularWeight: 489.52308

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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)CCCCNC4=CC=CC=N4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C(=O)C3=CN=CC=C3)C=C(C=C2)NC(=O)CCCCNC4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C26H27N5O5/c32-24(8-2-4-13-29-23-7-1-3-12-28-23)30-19-9-10-22-21(14-19)31(17-20(36-22)15-25(33)34)26(35)18-6-5-11-27-16-18/h1,3,5-7,9-12,14,16,20H,2,4,8,13,15,17H2,(H,28,29)(H,30,32)(H,33,34)