(2S)-5-azanyl-2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: (2S)-5-azanyl-2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-(1,3-dioxo-4H-isoquinolin-2-yl)-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-(1,3-dioxo-4H-isoquinolin-2-yl)-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-(1,3-dioxo-4H-isoquinolin-2-yl)-5-oxopentanoate Traditional Name: (2S)-5-amino-2-(1,3-diketo-4H-isoquinolin-2-yl)-5-keto-valerate Formula: C14H13N2O5- MolecularWeight: 289.26342

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)C(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)[C@@H](CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C14H14N2O5/c15-11(17)6-5-10(14(20)21)16-12(18)7-8-3-1-2-4-9(8)13(16)19/h1-4,10H,5-7H2,(H2,15,17)(H,20,21)/p-1/t10-/m0/s1