(2R,3S)-3-methyl-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]pentanoic acid

Systemtic Name: (2R,3S)-3-methyl-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]pentanoic acid Openeye Name: (2R,3S)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid CAS Name: (2R,3S)-3-methyl-2-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]pentanoic acid IUPAC Name: (2R,3S)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid Traditional Name: (2R,3S)-2-[(4-keto-3H-phthalazine-1-carbonyl)amino]-3-methyl-valeric acid Formula: C15H17N3O4 MolecularWeight: 303.31318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=NNC(=O)C2=CC=CC=C21

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)O)NC(=O)C1=NNC(=O)C2=CC=CC=C21

InChI

InChI=1S/C15H17N3O4/c1-3-8(2)11(15(21)22)16-14(20)12-9-6-4-5-7-10(9)13(19)18-17-12/h4-8,11H,3H2,1-2H3,(H,16,20)(H,18,19)(H,21,22)/t8-,11+/m0/s1