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

Systemtic Name: 2-[6-[3-(pyridin-2-ylamino)propanoylamino]-4-pyridin-3-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[4-(pyridine-3-carbonyl)-6-[3-(2-pyridylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[1-oxo-3-(2-pyridinylamino)propyl]amino]-4-[oxo(3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[4-(pyridine-3-carbonyl)-6-[3-(pyridin-2-ylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[4-nicotinoyl-6-[3-(2-pyridylamino)propanoylamino]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C24H23N5O5 MolecularWeight: 461.46992

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

Isomeric SMILES

C1C(OC2=C(N1C(=O)C3=CN=CC=C3)C=C(C=C2)NC(=O)CCNC4=CC=CC=N4)CC(=O)O

InChI

InChI=1S/C24H23N5O5/c30-22(8-11-27-21-5-1-2-10-26-21)28-17-6-7-20-19(12-17)29(15-18(34-20)13-23(31)32)24(33)16-4-3-9-25-14-16/h1-7,9-10,12,14,18H,8,11,13,15H2,(H,26,27)(H,28,30)(H,31,32)