5-azanyl-4-[2-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-4-[2-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-4-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-4-[[2-[[(2-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-4-[2-[(2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-4-[2-[(3-keto-2-methyl-4H-1,4-benzoxazine-2-carbonyl)amino]propanoylamino]valeric acid Formula: C18H22N4O7 MolecularWeight: 406.38988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C1(C(=O)NC2=CC=CC=C2O1)C

Isomeric SMILES

CC(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C1(C(=O)NC2=CC=CC=C2O1)C

InChI

InChI=1S/C18H22N4O7/c1-9(15(26)21-11(14(19)25)7-8-13(23)24)20-16(27)18(2)17(28)22-10-5-3-4-6-12(10)29-18/h3-6,9,11H,7-8H2,1-2H3,(H2,19,25)(H,20,27)(H,21,26)(H,22,28)(H,23,24)