(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride

C149H186ClN11O47 — CID 159648679

About (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride

(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride (PubChem CID 159648679) has the molecular formula C149H186ClN11O47 and a molecular weight of 2918.61 g/mol. Its IUPAC name is (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride.

Molecular Properties

• Compound Name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride
• PubChem CID: 159648679
• Molecular Formula: C149H186ClN11O47
• Molecular Weight: 2918.61 g/mol
• Exact Mass: 2916.22
• IUPAC Name: (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride
• SMILES: C1CCOC1.CC(C)(C)OC(=O)NCCC(=O)O.CC(C)(C)OC(=O)NCCC(=O)O[C@@H](C(=O)O)c1ccccc1.CC(C)(C)OC(=O)NCCC(=O)O[C@@H](C(=O)ON1C(=O)CCC1=O)c1ccccc1.CC(C)(C)OC(=O)NCCC(=O)O[C@@H](C(=O)ON1C(=O)CCC1=O)c1ccccc1.CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(OC(=O)[C@H](OC(=O)CCN)c2ccccc2)=CC[C@@]3(O)[C@H]1C5.CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(OC(=O)[C@H](OC(=O)CCNC(=O)OC(C)(C)C)c2ccccc2)=CC[C@@]3(O)[C@H]1C5.Cl
• InChI: InChI=1S/C34H40N2O9.C29H32N2O7.2C20H24N2O8.C18H21NO4.C16H21NO6.C8H15NO4.C4H8O.ClH/c1-32(2,3)45-31(40)35-16-13-25(38)43-28(20-8-6-5-7-9-20)30(39)42-23-12-14-34(41)24-18-21-10-11-22(19-37)27-26(21)33(34,29(23)44-27)15-17-36(24)4;1-31-14-12-28-23-18-7-8-19(16-32)24(23)38-26(28)20(9-11-29(28,35)21(31)15-18)36-27(34)25(37-22(33)10-13-30)17-5-3-2-4-6-17;2*1-20(2,3)29-19(27)21-12-11-16(25)28-17(13-7-5-4-6-8-13)18(26)30-22-14(23)9-10-15(22)24;1-19-7-6-17-14-10-2-3-11(9-20)15(14)23-16(17)12(21)4-5-18(17,22)13(19)8-10;1-16(2,3)23-15(21)17-10-9-12(18)22-13(14(19)20)11-7-5-4-6-8-11;1-8(2,3)13-7(12)9-5-4-6(10)11;1-2-4-5-3-1;/h5-12,24,28-29,37,41H,13-19H2,1-4H3,(H,35,40);2-9,21,25-26,32,35H,10-16,30H2,1H3;2*4-8,17H,9-12H2,1-3H3,(H,21,27);2-3,13,16,20,22H,4-9H2,1H3;4-8,13H,9-10H2,1-3H3,(H,17,21)(H,19,20);4-5H2,1-3H3,(H,9,12)(H,10,11);1-4H2;1H/t24-,28-,29+,33+,34-;21-,25-,26+,28+,29-;2*17-;13-,16+,17+,18-;13-;;;/m111111.../s1
• InChIKey: FAKGEZJULAEMHW-HSGSVIGZSA-N
• XLogP: 13.42
• TPSA: 788.82 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 49
• Rotatable Bonds: 39
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2918.61
LogP ≤ 5	13.42
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride?

The IUPAC name of (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride (CID 159648679) is (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride.

What is the SMILES notation for (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride?

The canonical SMILES for (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride is C1CCOC1.CC(C)(C)OC(=O)NCCC(=O)O.CC(C)(C)OC(=O)NCCC(=O)O[C@@H](C(=O)O)c1ccccc1.CC(C)(C)OC(=O)NCCC(=O)O[C@@H](C(=O)ON1C(=O)CCC1=O)c1ccccc1.CC(C)(C)OC(=O)NCCC(=O)O[C@@H](C(=O)ON1C(=O)CCC1=O)c1ccccc1.CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(OC(=O)[C@H](OC(=O)CCN)c2ccccc2)=CC[C@@]3(O)[C@H]1C5.CN1CC[C@]23c4c5ccc(CO)c4O[C@H]2C(OC(=O)[C@H](OC(=O)CCNC(=O)OC(C)(C)C)c2ccccc2)=CC[C@@]3(O)[C@H]1C5.Cl.

What is the InChIKey of (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride?

The InChIKey is FAKGEZJULAEMHW-HSGSVIGZSA-N. The full InChI is InChI=1S/C34H40N2O9.C29H32N2O7.2C20H24N2O8.C18H21NO4.C16H21NO6.C8H15NO4.C4H8O.ClH/c1-32(2,3)45-31(40)35-16-13-25(38)43-28(20-8-6-5-7-9-20)30(39)42-23-12-14-34(41)24-18-21-10-11-22(19-37)27-26(21)33(34,29(23)44-27)15-17-36(24)4;1-31-14-12-28-23-18-7-8-19(16-32)24(23)38-26(28)20(9-11-29(28,35)21(31)15-18)36-27(34)25(37-22(33)10-13-30)17-5-3-2-4-6-17;2*1-20(2,3)29-19(27)21-12-11-16(25)28-17(13-7-5-4-6-8-13)18(26)30-22-14(23)9-10-15(22)24;1-19-7-6-17-14-10-2-3-11(9-20)15(14)23-16(17)12(21)4-5-18(17,22)13(19)8-10;1-16(2,3)23-15(21)17-10-9-12(18)22-13(14(19)20)11-7-5-4-6-8-11;1-8(2,3)13-7(12)9-5-4-6(10)11;1-2-4-5-3-1;/h5-12,24,28-29,37,41H,13-19H2,1-4H3,(H,35,40);2-9,21,25-26,32,35H,10-16,30H2,1H3;2*4-8,17H,9-12H2,1-3H3,(H,21,27);2-3,13,16,20,22H,4-9H2,1H3;4-8,13H,9-10H2,1-3H3,(H,17,21)(H,19,20);4-5H2,1-3H3,(H,9,12)(H,10,11);1-4H2;1H/t24-,28-,29+,33+,34-;21-,25-,26+,28+,29-;2*17-;13-,16+,17+,18-;13-;;;/m111111.../s1.

What are the key properties of (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride?

(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride has a molecular weight of 2918.61 g/mol, XLogP of 13.42, 39 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-aminopropanoate;[(1R)-2-[[(4R,4aS,7aR,12bS)-4a-hydroxy-9-(hydroxymethyl)-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;bis([(1R)-2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-1-phenylethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate);3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2R)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxy]-2-phenylacetic acid;oxolane;hydrochloride is sourced from PubChem (CID 159648679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).