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

Systemtic Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[6-[[5-(1H-imidazol-2-ylamino)-1-oxopentyl]amino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[6-[5-(1H-imidazol-2-ylamino)pentanoylamino]-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]acetic acid Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCCCNC3=NC=CN3)CC(=O)O

Isomeric SMILES

CN1CC(OC2=C1C=C(C=C2)NC(=O)CCCCNC3=NC=CN3)CC(=O)O

InChI

InChI=1S/C19H25N5O4/c1-24-12-14(11-18(26)27)28-16-6-5-13(10-15(16)24)23-17(25)4-2-3-7-20-19-21-8-9-22-19/h5-6,8-10,14H,2-4,7,11-12H2,1H3,(H,23,25)(H,26,27)(H2,20,21,22)