(2S)-1-[(2S)-2-azanyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S)-2-azanyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S)-2-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxo-pentanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2S)-2-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-1,5-dioxopentyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S)-2-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S)-2-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-3,3-dimethyl-pentanoyl]pyrrolidine-2-carbonitrile Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCC2=CC=CC=C2C1)C(C(=O)N3CCCC3C#N)N

Isomeric SMILES

CC(C)(CC(=O)N1CCC2=CC=CC=C2C1)[C@@H](C(=O)N3CCC[C@H]3C#N)N

InChI

InChI=1S/C21H28N4O2/c1-21(2,19(23)20(27)25-10-5-8-17(25)13-22)12-18(26)24-11-9-15-6-3-4-7-16(15)14-24/h3-4,6-7,17,19H,5,8-12,14,23H2,1-2H3/t17-,19+/m0/s1