(3S,4S)-2-(6-azanyl-6-oxidanylidene-hexanoyl)-3-(4-cyanophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-2-(6-azanyl-6-oxidanylidene-hexanoyl)-3-(4-cyanophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-(6-amino-6-oxo-hexanoyl)-3-(4-cyanophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-(6-amino-1,6-dioxohexyl)-3-(4-cyanophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-(6-amino-6-oxohexanoyl)-3-(4-cyanophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-(6-amino-6-keto-hexanoyl)-3-(4-cyanophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(N(C2=O)C(=O)CCCCC(=O)N)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@H](N(C2=O)C(=O)CCCCC(=O)N)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C23H21N3O5/c24-13-14-9-11-15(12-10-14)21-20(23(30)31)16-5-1-2-6-17(16)22(29)26(21)19(28)8-4-3-7-18(25)27/h1-2,5-6,9-12,20-21H,3-4,7-8H2,(H2,25,27)(H,30,31)/t20-,21+/m0/s1