9-[6-azanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 9-[6-azanyl-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]hexanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 9-[6-amino-2-[(1-carboxy-3-phenyl-propyl)amino]hexanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid CAS Name: 9-[6-amino-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxohexyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 9-[6-amino-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 9-[6-amino-2-[(1-carboxy-3-phenyl-propyl)amino]hexanoyl]-1,2,3,4-tetrahydro-$b-carboline-3-carboxylic acid Formula: C28H34N4O5 MolecularWeight: 506.59336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C3=CC=CC=C3N2C(=O)C(CCCCN)NC(CCC4=CC=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1C(NCC2=C1C3=CC=CC=C3N2C(=O)C(CCCCN)NC(CCC4=CC=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H34N4O5/c29-15-7-6-11-21(31-22(27(34)35)14-13-18-8-2-1-3-9-18)26(33)32-24-12-5-4-10-19(24)20-16-23(28(36)37)30-17-25(20)32/h1-5,8-10,12,21-23,30-31H,6-7,11,13-17,29H2,(H,34,35)(H,36,37)