methyl (2S)-2-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[3-(1,3-dioxo-4H-isoquinolin-2-yl)-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoylamino]-3-hydroxypropanoate Traditional Name: (2S)-2-[3-(1,3-diketo-4H-isoquinolin-2-yl)propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CCN1C(=O)CC2=CC=CC=C2C1=O

InChI

InChI=1S/C16H18N2O6/c1-24-16(23)12(9-19)17-13(20)6-7-18-14(21)8-10-4-2-3-5-11(10)15(18)22/h2-5,12,19H,6-9H2,1H3,(H,17,20)/t12-/m0/s1