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

Systemtic Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-pyridin-3-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[5-(1H-imidazol-2-ylamino)-1-oxopentyl]amino]-4-[oxo(3-pyridinyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-(pyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-nicotinoyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C24H26N6O5 MolecularWeight: 478.50044

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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=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C(=O)C3=CN=CC=C3)C=C(C=C2)NC(=O)CCCCNC4=NC=CN4)CC(=O)O

InChI

InChI=1S/C24H26N6O5/c31-21(5-1-2-9-26-24-27-10-11-28-24)29-17-6-7-20-19(12-17)30(15-18(35-20)13-22(32)33)23(34)16-4-3-8-25-14-16/h3-4,6-8,10-12,14,18H,1-2,5,9,13,15H2,(H,29,31)(H,32,33)(H2,26,27,28)