(2S)-1-[(2S)-2-azanyl-4-(1-tert-butyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S)-2-azanyl-4-(1-tert-butyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S)-2-amino-4-(1-tert-butyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2S)-2-amino-4-(1-tert-butyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,4-dioxobutyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S)-2-amino-4-(1-tert-butyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S)-2-amino-4-(1-tert-butyl-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butanoyl]pyrrolidine-2-carbonitrile Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=C(CCN1C(=O)CC(C(=O)N3CCCC3C#N)N)C=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C1C2=C(CCN1C(=O)C[C@@H](C(=O)N3CCC[C@H]3C#N)N)C=C(C=C2)OC

InChI

InChI=1S/C23H32N4O3/c1-23(2,3)21-18-8-7-17(30-4)12-15(18)9-11-27(21)20(28)13-19(25)22(29)26-10-5-6-16(26)14-24/h7-8,12,16,19,21H,5-6,9-11,13,25H2,1-4H3/t16-,19-,21?/m0/s1