[5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl] 2-azanylpropanoate

Systemtic Name: [5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl] 2-azanylpropanoate Openeye Name: [4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octyl] 2-aminopropanoate CAS Name: 2-aminopropanoic acid [5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-[[oxo(2-quinoxalinyl)methyl]amino]nonan-2-yl] ester IUPAC Name: [5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-(quinoxaline-2-carbonylamino)nonan-2-yl] 2-aminopropanoate Traditional Name: 2-aminopropionic acid [4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octyl] ester Formula: C29H36FN5O5 MolecularWeight: 553.625043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)N

Isomeric SMILES

CC(C(=O)OC(C)(C)CCC(CC(C(CC1=CC(=CC=C1)F)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N)N

InChI

InChI=1S/C29H36FN5O5/c1-17(31)28(39)40-29(2,3)12-11-19(26(32)37)15-25(36)23(14-18-7-6-8-20(30)13-18)35-27(38)24-16-33-21-9-4-5-10-22(21)34-24/h4-10,13,16-17,19,23,25,36H,11-12,14-15,31H2,1-3H3,(H2,32,37)(H,35,38)