6-azanyl-2-[3-[[4-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-azepan-1-yl]hexanoic acid

Systemtic Name: 6-azanyl-2-[3-[[4-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-azepan-1-yl]hexanoic acid Openeye Name: 6-amino-2-[3-[[1-carboxy-3-(1H-indol-3-yl)propyl]amino]-2-oxo-azepan-1-yl]hexanoic acid CAS Name: 6-amino-2-[3-[[1-hydroxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]-2-oxo-1-azepanyl]hexanoic acid IUPAC Name: 6-amino-2-[3-[[1-hydroxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]-2-oxoazepan-1-yl]hexanoic acid Traditional Name: 6-amino-2-[3-[[1-carboxy-3-(1H-indol-3-yl)propyl]amino]-2-keto-azepan-1-yl]hexanoic acid Formula: C24H34N4O5 MolecularWeight: 458.55056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(CCC2=CNC3=CC=CC=C32)C(=O)O)C(CCCCN)C(=O)O

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(CCC2=CNC3=CC=CC=C32)C(=O)O)C(CCCCN)C(=O)O

InChI

InChI=1S/C24H34N4O5/c25-13-5-3-10-21(24(32)33)28-14-6-4-9-19(22(28)29)27-20(23(30)31)12-11-16-15-26-18-8-2-1-7-17(16)18/h1-2,7-8,15,19-21,26-27H,3-6,9-14,25H2,(H,30,31)(H,32,33)