(2R,3R)-3-oxidanyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoic acid

Systemtic Name: (2R,3R)-3-oxidanyl-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoic acid Openeye Name: (2R,3R)-3-hydroxy-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid CAS Name: (2R,3R)-3-hydroxy-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanoic acid IUPAC Name: (2R,3R)-3-hydroxy-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid Traditional Name: (2R,3R)-3-hydroxy-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]butyric acid Formula: C14H15N3O5 MolecularWeight: 305.286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CC1=NNC(=O)C2=CC=CC=C21)O

Isomeric SMILES

C[C@H]([C@H](C(=O)O)NC(=O)CC1=NNC(=O)C2=CC=CC=C21)O

InChI

InChI=1S/C14H15N3O5/c1-7(18)12(14(21)22)15-11(19)6-10-8-4-2-3-5-9(8)13(20)17-16-10/h2-5,7,12,18H,6H2,1H3,(H,15,19)(H,17,20)(H,21,22)/t7-,12-/m1/s1