(2S)-4-azanyl-4-oxidanylidene-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]butanoate Openeye Name: (2S)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate CAS Name: (2S)-4-amino-4-oxo-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]butanoate IUPAC Name: (2S)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-4-amino-4-keto-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]butyrate Formula: C14H13N4O5- MolecularWeight: 317.27682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)N[C@@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C14H14N4O5/c15-11(19)5-10(14(22)23)16-12(20)6-9-7-3-1-2-4-8(7)13(21)18-17-9/h1-4,10H,5-6H2,(H2,15,19)(H,16,20)(H,18,21)(H,22,23)/p-1/t10-/m0/s1