4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid

C140H165B5N10O50 — CID 158456702

About 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid

4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid (PubChem CID 158456702) has the molecular formula C140H165B5N10O50 and a molecular weight of 2841.94 g/mol. Its IUPAC name is 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid.

Molecular Properties

• Compound Name: 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid
• PubChem CID: 158456702
• Molecular Formula: C140H165B5N10O50
• Molecular Weight: 2841.94 g/mol
• Exact Mass: 2841.11
• IUPAC Name: 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid
• SMILES: CC(C)CC(CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)[B-]12OC(=O)C(CC(=O)O)(CC(=O)[OH+]1)O2.CC(C)CC(CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)[B-]12OC(=O)CC(C(=O)O)(CC(=O)[OH+]1)O2.CC(C)CC(CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)[B-]12OC(=O)CC(CC(=O)O)(O1)C(=O)[OH+]2.CC(C)C[C@H](CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1.CC(C)C[C@H](CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1
• InChI: InChI=1S/5C28H33BN2O10/c1-16(2)12-19(29-39-23(34)14-28(41-29,27(37)38)15-24(35)40-29)13-22(33)25(17(3)32)31-26(36)21-11-7-10-20(30-21)18-8-5-4-6-9-18;2*1-16(2)12-19(29-39-24(36)15-28(41-29,14-23(34)35)27(38)40-29)13-22(33)25(17(3)32)31-26(37)21-11-7-10-20(30-21)18-8-5-4-6-9-18;1-16(2)12-19(29-40-24(36)15-28(41-29,27(38)39)14-23(34)35)13-22(33)25(17(3)32)31-26(37)21-11-7-10-20(30-21)18-8-5-4-6-9-18;1-16(2)12-19(29-40-27(39)28(41-29,14-23(34)35)15-24(36)37)13-22(33)25(17(3)32)31-26(38)21-11-7-10-20(30-21)18-8-5-4-6-9-18/h4-11,16-17,19,25,32,39H,12-15H2,1-3H3,(H,31,36)(H,37,38);4-11,16-17,19,25,32,40H,12-15H2,1-3H3,(H,31,37)(H,34,35);4-11,16-17,19,25,32,39H,12-15H2,1-3H3,(H,31,37)(H,34,35);4-11,16-17,19,25,32H,12-15H2,1-3H3,(H,31,37)(H,34,35)(H,38,39);4-11,16-17,19,25,32H,12-15H2,1-3H3,(H,31,38)(H,34,35)(H,36,37)/t3*17-,19?,25+,28?,29?;17-,19-,25+,28?;17-,19-,25+/m11111/s1
• InChIKey: HEQUQOIFFQPJNF-UXCVRGLXSA-N
• XLogP: 10.07
• TPSA: 924.81 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 45
• Rotatable Bonds: 62
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2841.94
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid?

The IUPAC name of 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid (CID 158456702) is 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid.

What is the SMILES notation for 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid?

The canonical SMILES for 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid is CC(C)CC(CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)[B-]12OC(=O)C(CC(=O)O)(CC(=O)[OH+]1)O2.CC(C)CC(CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)[B-]12OC(=O)CC(C(=O)O)(CC(=O)[OH+]1)O2.CC(C)CC(CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)[B-]12OC(=O)CC(CC(=O)O)(O1)C(=O)[OH+]2.CC(C)C[C@H](CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1.CC(C)C[C@H](CC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1.

What is the InChIKey of 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid?

The InChIKey is HEQUQOIFFQPJNF-UXCVRGLXSA-N. The full InChI is InChI=1S/5C28H33BN2O10/c1-16(2)12-19(29-39-23(34)14-28(41-29,27(37)38)15-24(35)40-29)13-22(33)25(17(3)32)31-26(36)21-11-7-10-20(30-21)18-8-5-4-6-9-18;2*1-16(2)12-19(29-39-24(36)15-28(41-29,14-23(34)35)27(38)40-29)13-22(33)25(17(3)32)31-26(37)21-11-7-10-20(30-21)18-8-5-4-6-9-18;1-16(2)12-19(29-40-24(36)15-28(41-29,27(38)39)14-23(34)35)13-22(33)25(17(3)32)31-26(37)21-11-7-10-20(30-21)18-8-5-4-6-9-18;1-16(2)12-19(29-40-27(39)28(41-29,14-23(34)35)15-24(36)37)13-22(33)25(17(3)32)31-26(38)21-11-7-10-20(30-21)18-8-5-4-6-9-18/h4-11,16-17,19,25,32,39H,12-15H2,1-3H3,(H,31,36)(H,37,38);4-11,16-17,19,25,32,40H,12-15H2,1-3H3,(H,31,37)(H,34,35);4-11,16-17,19,25,32,39H,12-15H2,1-3H3,(H,31,37)(H,34,35);4-11,16-17,19,25,32H,12-15H2,1-3H3,(H,31,37)(H,34,35)(H,38,39);4-11,16-17,19,25,32H,12-15H2,1-3H3,(H,31,38)(H,34,35)(H,36,37)/t3*17-,19?,25+,28?,29?;17-,19-,25+,28?;17-,19-,25+/m11111/s1.

What are the key properties of 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid?

4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid has a molecular weight of 2841.94 g/mol, XLogP of 10.07, 62 rotatable bonds, 17 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid;2-[4-(carboxymethyl)-2-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid;1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,7-dioxo-2,9-dioxa-8-oxonia-1-boranuidabicyclo[3.3.1]nonane-5-carboxylic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-2,8-dioxa-7-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid;2-[1-[(4R,7S,8R)-8-hydroxy-2-methyl-6-oxo-7-[(6-phenylpyridine-2-carbonyl)amino]nonan-4-yl]-3,6-dioxo-7,8-dioxa-2-oxonia-1-boranuidabicyclo[3.2.1]octan-5-yl]acetic acid is sourced from PubChem (CID 158456702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).