1-[2-[(9-azanyl-1-oxidanyl-1-oxidanylidene-nonan-2-yl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[2-[(9-azanyl-1-oxidanyl-1-oxidanylidene-nonan-2-yl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-[2-[(8-amino-1-carboxy-octyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[2-[(9-amino-1-hydroxy-1-oxononan-2-yl)amino]-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[2-[(9-amino-1-hydroxy-1-oxononan-2-yl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-[2-[(8-amino-1-carboxy-octyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1C2=CC=CC=C2CC(N1)C(=O)O)NC(CCCCCCCN)C(=O)O

Isomeric SMILES

CC(C(=O)C1C2=CC=CC=C2CC(N1)C(=O)O)NC(CCCCCCCN)C(=O)O

InChI

InChI=1S/C22H33N3O5/c1-14(24-17(21(27)28)11-5-3-2-4-8-12-23)20(26)19-16-10-7-6-9-15(16)13-18(25-19)22(29)30/h6-7,9-10,14,17-19,24-25H,2-5,8,11-13,23H2,1H3,(H,27,28)(H,29,30)