4-azanyl-5-[[5-methyl-4-oxidanylidene-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxidanylidene-pentanoic acid hydrochloride

Systemtic Name: 4-azanyl-5-[[5-methyl-4-oxidanylidene-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: 4-amino-5-[[2-(isopropylamino)-5-methyl-4-oxo-3,1-benzoxazin-7-yl]amino]-5-oxo-pentanoic acid hydrochloride CAS Name: 4-amino-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid hydrochloride IUPAC Name: 4-amino-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid hydrochloride Traditional Name: 4-amino-5-[[2-(isopropylamino)-4-keto-5-methyl-3,1-benzoxazin-7-yl]amino]-5-keto-valeric acid hydrochloride Formula: C17H23ClN4O5 MolecularWeight: 398.84132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C)NC(=O)C(CCC(=O)O)N.Cl

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C)NC(=O)C(CCC(=O)O)N.Cl

InChI

InChI=1S/C17H22N4O5.ClH/c1-8(2)19-17-21-12-7-10(6-9(3)14(12)16(25)26-17)20-15(24)11(18)4-5-13(22)23;/h6-8,11H,4-5,18H2,1-3H3,(H,19,21)(H,20,24)(H,22,23);1H