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

Systemtic Name: (3S,4S)-2-(6-azanyl-6-oxidanylidene-hexanoyl)-3-(3-hydroxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-2-(6-amino-6-oxo-hexanoyl)-3-(3-hydroxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-2-(6-amino-1,6-dioxohexyl)-3-(3-hydroxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-2-(6-amino-6-oxohexanoyl)-3-(3-hydroxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-2-(6-amino-6-keto-hexanoyl)-3-(3-hydroxyphenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c23-17(26)10-3-4-11-18(27)24-20(13-6-5-7-14(25)12-13)19(22(29)30)15-8-1-2-9-16(15)21(24)28/h1-2,5-9,12,19-20,25H,3-4,10-11H2,(H2,23,26)(H,29,30)/t19-,20+/m0/s1