[5-aminocarbonyl-1-(3-fluorophenyl)-8-methyl-8-oxidanyl-2-(quinoxalin-2-ylcarbonylamino)nonan-3-yl] 2-azanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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