3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one

C147H160B7N15O28 — CID 157337316

About 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one

3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one (PubChem CID 157337316) has the molecular formula C147H160B7N15O28 and a molecular weight of 2660.66 g/mol. Its IUPAC name is 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one.

Molecular Properties

• Compound Name: 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one
• PubChem CID: 157337316
• Molecular Formula: C147H160B7N15O28
• Molecular Weight: 2660.66 g/mol
• Exact Mass: 2660.22
• IUPAC Name: 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one
• SMILES: CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1cc3c(cn1)CN(C)C3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1cc3c(cn1)CNC3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1ccc3c(c1)CC=C3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1cnc3c(c1)CN(C)C3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1cnc3c(c1)CNC3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)c1cc(CN)cc(CN)c1)C2.[H]/N=C(\N)CCc1cc(CN=C(N)N)cc(C(=O)C[C@H]2Cc3cccc(C(C)=O)c3OB2O)c1
• InChI: InChI=1S/C23H28BN5O4.C22H21BO4.2C21H23BN2O4.2C20H21BN2O4.C20H23BN2O4/c1-13(30)19-4-2-3-16-10-18(24(32)33-22(16)19)11-20(31)17-8-14(5-6-21(25)26)7-15(9-17)12-29-23(27)28;1-14(24)21-7-3-6-18-12-19(23(26)27-22(18)21)13-20(25)11-15-8-9-16-4-2-5-17(16)10-15;1-13(25)19-5-3-4-15-8-17(22(27)28-21(15)19)9-18(26)7-14-6-16-11-24(2)12-20(16)23-10-14;1-13(25)20-5-3-4-14-6-17(22(27)28-21(14)20)8-19(26)9-18-7-15-11-24(2)12-16(15)10-23-18;1-12(24)18-4-2-3-14-7-16(21(26)27-20(14)18)8-17(25)6-13-5-15-10-22-11-19(15)23-9-13;1-12(24)19-4-2-3-13-5-16(21(26)27-20(13)19)7-18(25)8-17-6-14-9-22-10-15(14)11-23-17;1-12(24)18-4-2-3-15-8-17(21(26)27-20(15)18)9-19(25)16-6-13(10-22)5-14(7-16)11-23/h2-4,7-9,18,32H,5-6,10-12H2,1H3,(H3,25,26)(H4,27,28,29);2-4,6-10,19,26H,5,11-13H2,1H3;3-6,10,17,27H,7-9,11-12H2,1-2H3;3-5,7,10,17,27H,6,8-9,11-12H2,1-2H3;2-5,9,16,22,26H,6-8,10-11H2,1H3;2-4,6,11,16,22,26H,5,7-10H2,1H3;2-7,17,26H,8-11,22-23H2,1H3/t18-;19-;2*17-;2*16-;17-/m1111111/s1
• InChIKey: BFZGIYPHMNSTGS-NNAHDIJZSA-N
• XLogP: 15.08
• TPSA: 693.61 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 40
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2660.66
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one?

The IUPAC name of 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one (CID 157337316) is 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one.

What is the SMILES notation for 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one?

The canonical SMILES for 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one is CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1cc3c(cn1)CN(C)C3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1cc3c(cn1)CNC3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1ccc3c(c1)CC=C3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1cnc3c(c1)CN(C)C3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)Cc1cnc3c(c1)CNC3)C2.CC(=O)c1cccc2c1OB(O)[C@@H](CC(=O)c1cc(CN)cc(CN)c1)C2.[H]/N=C(\N)CCc1cc(CN=C(N)N)cc(C(=O)C[C@H]2Cc3cccc(C(C)=O)c3OB2O)c1.

What is the InChIKey of 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one?

The InChIKey is BFZGIYPHMNSTGS-NNAHDIJZSA-N. The full InChI is InChI=1S/C23H28BN5O4.C22H21BO4.2C21H23BN2O4.2C20H21BN2O4.C20H23BN2O4/c1-13(30)19-4-2-3-16-10-18(24(32)33-22(16)19)11-20(31)17-8-14(5-6-21(25)26)7-15(9-17)12-29-23(27)28;1-14(24)21-7-3-6-18-12-19(23(26)27-22(18)21)13-20(25)11-15-8-9-16-4-2-5-17(16)10-15;1-13(25)19-5-3-4-15-8-17(22(27)28-21(15)19)9-18(26)7-14-6-16-11-24(2)12-20(16)23-10-14;1-13(25)20-5-3-4-14-6-17(22(27)28-21(14)20)8-19(26)9-18-7-15-11-24(2)12-16(15)10-23-18;1-12(24)18-4-2-3-14-7-16(21(26)27-20(14)18)8-17(25)6-13-5-15-10-22-11-19(15)23-9-13;1-12(24)19-4-2-3-13-5-16(21(26)27-20(13)19)7-18(25)8-17-6-14-9-22-10-15(14)11-23-17;1-12(24)18-4-2-3-15-8-17(21(26)27-20(15)18)9-19(25)16-6-13(10-22)5-14(7-16)11-23/h2-4,7-9,18,32H,5-6,10-12H2,1H3,(H3,25,26)(H4,27,28,29);2-4,6-10,19,26H,5,11-13H2,1H3;3-6,10,17,27H,7-9,11-12H2,1-2H3;3-5,7,10,17,27H,6,8-9,11-12H2,1-2H3;2-5,9,16,22,26H,6-8,10-11H2,1H3;2-4,6,11,16,22,26H,5,7-10H2,1H3;2-7,17,26H,8-11,22-23H2,1H3/t18-;19-;2*17-;2*16-;17-/m1111111/s1.

What are the key properties of 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one?

3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one has a molecular weight of 2660.66 g/mol, XLogP of 15.08, 40 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]acetyl]-5-[(diaminomethylideneamino)methyl]phenyl]propanimidamide;2-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-1-[3,5-bis(aminomethyl)phenyl]ethanone;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(3H-inden-5-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-3-yl)propan-2-one;1-[(3R)-8-acetyl-2-hydroxy-3,4-dihydro-1,2-benzoxaborinin-3-yl]-3-(2-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 157337316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).