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

Systemtic Name: 4-(2-azanylpropanoylamino)-5-[[5-methyl-4-oxidanylidene-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-(2-aminopropanoylamino)-5-[[2-(isopropylamino)-5-methyl-4-oxo-3,1-benzoxazin-7-yl]amino]-5-oxo-pentanoic acid CAS Name: 4-[(2-amino-1-oxopropyl)amino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-(2-aminopropanoylamino)-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid Traditional Name: 4-(alanylamino)-5-[[2-(isopropylamino)-4-keto-5-methyl-3,1-benzoxazin-7-yl]amino]-5-keto-valeric acid Formula: C20H27N5O6 MolecularWeight: 433.45828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O6/c1-9(2)22-20-25-14-8-12(7-10(3)16(14)19(30)31-20)23-18(29)13(5-6-15(26)27)24-17(28)11(4)21/h7-9,11,13H,5-6,21H2,1-4H3,(H,22,25)(H,23,29)(H,24,28)(H,26,27)