(4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride

C128H177B3ClI4N7O28 — CID 158780366

IUPAC(4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride
SMILESC.C.C.C.CCOc1cc(C(=O)N2C3COCC2CC(=O)C3)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.CCOc1cc(C(=O)N2C3COCC2CC(O)C3)ccc1C(=O)CC[C@@H](O)CCC1Cc2ccccc2C1.CCOc1cc(C(=O)N2C3COCC2CC(O)C3)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.CCOc1cc(C(=O)O)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.Cl.II(I)I.O=C1CC2COCC(C1)N2
InChIInChI=1S/C31H41BN2O7.C31H39BN2O7.C31H39NO6.C24H30BNO6.C7H11NO2.4CH4.ClH.I4/c2*1-3-41-30-14-22(31(38)34-24-15-27(36)16-25(34)19-40-18-24)8-10-28(30)29(37)11-9-26(35)17-33(32(2)39)23-12-20-6-4-5-7-21(20)13-23;1-2-38-30-15-23(31(36)32-24-16-27(34)17-25(32)19-37-18-24)8-11-28(30)29(35)12-10-26(33)9-7-20-13-21-5-3-4-6-22(21)14-20;1-3-32-23-14-18(24(29)30)8-10-21(23)22(28)11-9-20(27)15-26(25(2)31)19-12-16-6-4-5-7-17(16)13-19;9-7-1-5-3-10-4-6(2-7)8-5;;;;;;1-4(2)3/h4-8,10,14,23-27,35-36,39H,3,9,11-13,15-19H2,1-2H3;4-8,10,14,23-26,35,39H,3,9,11-13,15-19H2,1-2H3;3-6,8,11,15,20,24-27,33-34H,2,7,9-10,12-14,16-19H2,1H3;4-8,10,14,19-20,27,31H,3,9,11-13,15H2,1-2H3,(H,29,30);5-6,8H,1-4H2;4*1H4;1H;/t24?,25?,26-,27?;24?,25?,26-;24?,25?,26-,27?;20-;;;;;;;/m1101......./s1
InChIKeyZMBGBSCVQGVZCV-FITYHQKOSA-N
MW2837.35 g/mol
LogP17.79
Rot. Bonds43

About (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride

(4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride (PubChem CID 158780366) has the molecular formula C128H177B3ClI4N7O28 and a molecular weight of 2837.35 g/mol. Its IUPAC name is (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride.

Molecular Properties

Compound Name(4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride
PubChem CID158780366
Molecular FormulaC128H177B3ClI4N7O28
Molecular Weight2837.35 g/mol
Exact Mass2835.88
IUPAC Name(4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride
SMILESC.C.C.C.CCOc1cc(C(=O)N2C3COCC2CC(=O)C3)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.CCOc1cc(C(=O)N2C3COCC2CC(O)C3)ccc1C(=O)CC[C@@H](O)CCC1Cc2ccccc2C1.CCOc1cc(C(=O)N2C3COCC2CC(O)C3)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.CCOc1cc(C(=O)O)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.Cl.II(I)I.O=C1CC2COCC(C1)N2
InChIInChI=1S/C31H41BN2O7.C31H39BN2O7.C31H39NO6.C24H30BNO6.C7H11NO2.4CH4.ClH.I4/c2*1-3-41-30-14-22(31(38)34-24-15-27(36)16-25(34)19-40-18-24)8-10-28(30)29(37)11-9-26(35)17-33(32(2)39)23-12-20-6-4-5-7-21(20)13-23;1-2-38-30-15-23(31(36)32-24-16-27(34)17-25(32)19-37-18-24)8-11-28(30)29(35)12-10-26(33)9-7-20-13-21-5-3-4-6-22(21)14-20;1-3-32-23-14-18(24(29)30)8-10-21(23)22(28)11-9-20(27)15-26(25(2)31)19-12-16-6-4-5-7-17(16)13-19;9-7-1-5-3-10-4-6(2-7)8-5;;;;;;1-4(2)3/h4-8,10,14,23-27,35-36,39H,3,9,11-13,15-19H2,1-2H3;4-8,10,14,23-26,35,39H,3,9,11-13,15-19H2,1-2H3;3-6,8,11,15,20,24-27,33-34H,2,7,9-10,12-14,16-19H2,1H3;4-8,10,14,19-20,27,31H,3,9,11-13,15H2,1-2H3,(H,29,30);5-6,8H,1-4H2;4*1H4;1H;/t24?,25?,26-,27?;24?,25?,26-;24?,25?,26-,27?;20-;;;;;;;/m1101......./s1
InChIKeyZMBGBSCVQGVZCV-FITYHQKOSA-N
XLogP17.79
TPSA478.31 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds43
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002837.35
LogP ≤ 517.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride?
The IUPAC name of (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride (CID 158780366) is (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride.
What is the SMILES notation for (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride?
The canonical SMILES for (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride is C.C.C.C.CCOc1cc(C(=O)N2C3COCC2CC(=O)C3)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.CCOc1cc(C(=O)N2C3COCC2CC(O)C3)ccc1C(=O)CC[C@@H](O)CCC1Cc2ccccc2C1.CCOc1cc(C(=O)N2C3COCC2CC(O)C3)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.CCOc1cc(C(=O)O)ccc1C(=O)CC[C@@H](O)CN(B(C)O)C1Cc2ccccc2C1.Cl.II(I)I.O=C1CC2COCC(C1)N2.
What is the InChIKey of (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride?
The InChIKey is ZMBGBSCVQGVZCV-FITYHQKOSA-N. The full InChI is InChI=1S/C31H41BN2O7.C31H39BN2O7.C31H39NO6.C24H30BNO6.C7H11NO2.4CH4.ClH.I4/c2*1-3-41-30-14-22(31(38)34-24-15-27(36)16-25(34)19-40-18-24)8-10-28(30)29(37)11-9-26(35)17-33(32(2)39)23-12-20-6-4-5-7-21(20)13-23;1-2-38-30-15-23(31(36)32-24-16-27(34)17-25(32)19-37-18-24)8-11-28(30)29(35)12-10-26(33)9-7-20-13-21-5-3-4-6-22(21)14-20;1-3-32-23-14-18(24(29)30)8-10-21(23)22(28)11-9-20(27)15-26(25(2)31)19-12-16-6-4-5-7-17(16)13-19;9-7-1-5-3-10-4-6(2-7)8-5;;;;;;1-4(2)3/h4-8,10,14,23-27,35-36,39H,3,9,11-13,15-19H2,1-2H3;4-8,10,14,23-26,35,39H,3,9,11-13,15-19H2,1-2H3;3-6,8,11,15,20,24-27,33-34H,2,7,9-10,12-14,16-19H2,1H3;4-8,10,14,19-20,27,31H,3,9,11-13,15H2,1-2H3,(H,29,30);5-6,8H,1-4H2;4*1H4;1H;/t24?,25?,26-,27?;24?,25?,26-;24?,25?,26-,27?;20-;;;;;;;/m1101......./s1.
What are the key properties of (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride?
(4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride has a molecular weight of 2837.35 g/mol, XLogP of 17.79, 43 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-4-hydroxyhexan-1-one;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;N-(2,3-dihydro-1H-inden-2-yl)-N-[(2R)-5-[2-ethoxy-4-(7-oxo-3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]-2-hydroxy-5-oxopentyl]-methylboronamidic acid;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[hydroxy(methyl)boranyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;methane;3-oxa-9-azabicyclo[3.3.1]nonan-7-one;triiodo-λ3-iodane;hydrochloride is sourced from PubChem (CID 158780366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).