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

Systemtic Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[5-(1H-imidazol-2-ylamino)-1-oxopentyl]amino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCCCNC4=NC=CN4)CC(=O)O

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=C3)C=C(C=C2)NC(=O)CCCCNC4=NC=CN4)CC(=O)O

InChI

InChI=1S/C24H27N5O4/c30-22(8-4-5-11-25-24-26-12-13-27-24)28-17-9-10-21-20(14-17)29(18-6-2-1-3-7-18)16-19(33-21)15-23(31)32/h1-3,6-7,9-10,12-14,19H,4-5,8,11,15-16H2,(H,28,30)(H,31,32)(H2,25,26,27)