(3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride

C129H167ClF3N27O39 — CID 162245409

About (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride

(3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride (PubChem CID 162245409) has the molecular formula C129H167ClF3N27O39 and a molecular weight of 2812.35 g/mol. Its IUPAC name is (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride.

Molecular Properties

• Compound Name: (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride
• PubChem CID: 162245409
• Molecular Formula: C129H167ClF3N27O39
• Molecular Weight: 2812.35 g/mol
• Exact Mass: 2810.16
• IUPAC Name: (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride
• SMILES: COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ncccc1N.C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@@H](Oc1ncccc1N)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@@H](Oc1ncccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@H]1Oc2ncccc2CC(=O)[C@H]1NC(=O)OC(C)(C)C.C[C@H]1Oc2ncccc2N(C)C(=O)[C@H]1N.C[C@H]1Oc2ncccc2N(C)C(=O)[C@H]1NC(=O)OC(C)(C)C.C[C@H]1Oc2ncccc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2ccccc2)cc1F.Cl.O=C(O)c1nn(Cc2ccccc2)cc1F.O=[N+]([O-])c1cccnc1F
• InChI: InChI=1S/C21H20FN5O3.C15H23N3O5.C15H21N3O4.C15H20N2O4.C14H19N3O7.C14H21N3O5.C11H9FN2O2.C10H13N3O2.C9H17NO5.C5H3FN2O2.ClH/c1-13-17(21(29)26(2)16-9-6-10-23-20(16)30-13)24-19(28)18-15(22)12-27(25-18)11-14-7-4-3-5-8-14;1-9(22-12-10(16)7-6-8-17-12)11(13(19)21-5)18-14(20)23-15(2,3)4;1-9-11(17-14(20)22-15(2,3)4)13(19)18(5)10-7-6-8-16-12(10)21-9;1-9-12(17-14(19)21-15(2,3)4)11(18)8-10-6-5-7-16-13(10)20-9;1-8(23-11-9(17(21)22)6-5-7-15-11)10(12(18)19)16-13(20)24-14(2,3)4;1-8(21-11-9(15)6-5-7-16-11)10(12(18)19)17-13(20)22-14(2,3)4;12-9-7-14(13-10(9)11(15)16)6-8-4-2-1-3-5-8;1-6-8(11)10(14)13(2)7-4-3-5-12-9(7)15-6;1-5(11)6(7(12)13)10-8(14)15-9(2,3)4;6-5-4(8(9)10)2-1-3-7-5;/h3-10,12-13,17H,11H2,1-2H3,(H,24,28);6-9,11H,16H2,1-5H3,(H,18,20);6-9,11H,1-5H3,(H,17,20);5-7,9,12H,8H2,1-4H3,(H,17,19);5-8,10H,1-4H3,(H,16,20)(H,18,19);5-8,10H,15H2,1-4H3,(H,17,20)(H,18,19);1-5,7H,6H2,(H,15,16);3-6,8H,11H2,1-2H3;5-6,11H,1-4H3,(H,10,14)(H,12,13);1-3H;1H/t13-,17+;2*9-,11+;9-,12+;2*8-,10+;;6-,8+;5-,6+;;/m111111.11../s1
• InChIKey: SHXUKBNDMRKUFQ-OIXFPPODSA-N
• XLogP: 14.05
• TPSA: 900.52 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 50
• Rotatable Bonds: 29
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2812.35
LogP ≤ 5	14.05
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride?

The IUPAC name of (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride (CID 162245409) is (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride.

What is the SMILES notation for (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride?

The canonical SMILES for (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride is COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ncccc1N.C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@@H](Oc1ncccc1N)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@@H](Oc1ncccc1[N+](=O)[O-])[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@H]1Oc2ncccc2CC(=O)[C@H]1NC(=O)OC(C)(C)C.C[C@H]1Oc2ncccc2N(C)C(=O)[C@H]1N.C[C@H]1Oc2ncccc2N(C)C(=O)[C@H]1NC(=O)OC(C)(C)C.C[C@H]1Oc2ncccc2N(C)C(=O)[C@H]1NC(=O)c1nn(Cc2ccccc2)cc1F.Cl.O=C(O)c1nn(Cc2ccccc2)cc1F.O=[N+]([O-])c1cccnc1F.

What is the InChIKey of (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride?

The InChIKey is SHXUKBNDMRKUFQ-OIXFPPODSA-N. The full InChI is InChI=1S/C21H20FN5O3.C15H23N3O5.C15H21N3O4.C15H20N2O4.C14H19N3O7.C14H21N3O5.C11H9FN2O2.C10H13N3O2.C9H17NO5.C5H3FN2O2.ClH/c1-13-17(21(29)26(2)16-9-6-10-23-20(16)30-13)24-19(28)18-15(22)12-27(25-18)11-14-7-4-3-5-8-14;1-9(22-12-10(16)7-6-8-17-12)11(13(19)21-5)18-14(20)23-15(2,3)4;1-9-11(17-14(20)22-15(2,3)4)13(19)18(5)10-7-6-8-16-12(10)21-9;1-9-12(17-14(19)21-15(2,3)4)11(18)8-10-6-5-7-16-13(10)20-9;1-8(23-11-9(17(21)22)6-5-7-15-11)10(12(18)19)16-13(20)24-14(2,3)4;1-8(21-11-9(15)6-5-7-16-11)10(12(18)19)17-13(20)22-14(2,3)4;12-9-7-14(13-10(9)11(15)16)6-8-4-2-1-3-5-8;1-6-8(11)10(14)13(2)7-4-3-5-12-9(7)15-6;1-5(11)6(7(12)13)10-8(14)15-9(2,3)4;6-5-4(8(9)10)2-1-3-7-5;/h3-10,12-13,17H,11H2,1-2H3,(H,24,28);6-9,11H,16H2,1-5H3,(H,18,20);6-9,11H,1-5H3,(H,17,20);5-7,9,12H,8H2,1-4H3,(H,17,19);5-8,10H,1-4H3,(H,16,20)(H,18,19);5-8,10H,15H2,1-4H3,(H,17,20)(H,18,19);1-5,7H,6H2,(H,15,16);3-6,8H,11H2,1-2H3;5-6,11H,1-4H3,(H,10,14)(H,12,13);1-3H;1H/t13-,17+;2*9-,11+;9-,12+;2*8-,10+;;6-,8+;5-,6+;;/m111111.11../s1.

What are the key properties of (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride?

(3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride has a molecular weight of 2812.35 g/mol, XLogP of 14.05, 29 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-3-amino-1,4-dimethyl-3,4-dihydropyrido[2,3-b][1,4]oxazepin-2-one;(2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;1-benzyl-N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]-4-fluoropyrazole-3-carboxamide;1-benzyl-4-fluoropyrazole-3-carboxylic acid;tert-butyl N-[(3S,4R)-1,4-dimethyl-2-oxo-3,4-dihydropyrido[2,3-b][1,4]oxazepin-3-yl]carbamate;tert-butyl N-[(2R,3S)-2-methyl-4-oxo-3,5-dihydro-2H-oxepino[2,3-b]pyridin-3-yl]carbamate;2-fluoro-3-nitropyridine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;methyl (2S,3R)-3-[(3-amino-2-pyridinyl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;(2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)oxy]butanoic acid;hydrochloride is sourced from PubChem (CID 162245409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).