[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CC1C2=CC=CC=C2C=CN1C(=O)C

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)C[C@@H]1C2=CC=CC=C2C=CN1C(=O)C

InChI

InChI=1S/C16H18N2O4/c1-10(16(17)21)22-15(20)9-14-13-6-4-3-5-12(13)7-8-18(14)11(2)19/h3-8,10,14H,9H2,1-2H3,(H2,17,21)/t10-,14+/m0/s1