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

Systemtic Name: [5-aminocarbonyl-9-(3-fluorophenyl)-2-methyl-7-oxidanyl-8-(quinoxalin-2-ylcarbonylamino)nonan-2-yl]oxymethyl 2-azanylpropanoate Openeye Name: [4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]methyl 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]oxymethyl ester IUPAC Name: [5-carbamoyl-9-(3-fluorophenyl)-7-hydroxy-2-methyl-8-(quinoxaline-2-carbonylamino)nonan-2-yl]oxymethyl 2-aminopropanoate Traditional Name: 2-aminopropionic acid [4-carbamoyl-8-(3-fluorophenyl)-6-hydroxy-1,1-dimethyl-7-(quinoxaline-2-carbonylamino)octoxy]methyl ester Formula: C30H38FN5O6 MolecularWeight: 583.651023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCOC(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)OCOC(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/C30H38FN5O6/c1-18(32)29(40)41-17-42-30(2,3)12-11-20(27(33)38)15-26(37)24(14-19-7-6-8-21(31)13-19)36-28(39)25-16-34-22-9-4-5-10-23(22)35-25/h4-10,13,16,18,20,24,26,37H,11-12,14-15,17,32H2,1-3H3,(H2,33,38)(H,36,39)