methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate

C113H126BrFN10O17 — CID 157244385

About methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate

methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate (PubChem CID 157244385) has the molecular formula C113H126BrFN10O17 and a molecular weight of 1995.21 g/mol. Its IUPAC name is methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate.

Molecular Properties

• Compound Name: methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate
• PubChem CID: 157244385
• Molecular Formula: C113H126BrFN10O17
• Molecular Weight: 1995.21 g/mol
• Exact Mass: 1992.85
• IUPAC Name: methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate
• SMILES: COC(=O)C1=CN2CCc3c([nH]c4c(F)cccc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.COC(=O)C1=CN2CCc3c([nH]c4ccc(Br)cc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.COC(=O)C1=CN2CCc3c([nH]c4ccc(C)cc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.COC(=O)C1=CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.COC(=O)C1=CN2CCc3c([nH]c4ccc(OCc5ccccc5)cc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12
• InChI: InChI=1S/C28H30N2O4.C22H26N2O3.C21H23BrN2O3.C21H23FN2O3.C21H24N2O4/c1-16-24(31)13-21-22(28(32)33-2)14-30-11-10-19-20-12-18(34-15-17-6-4-3-5-7-17)8-9-23(20)29-26(19)27(30)25(16)21;1-11-4-5-17-14(8-11)13-6-7-24-10-16(22(26)27-3)15-9-18(25)12(2)19(15)21(24)20(13)23-17;1-10-17(25)8-14-15(21(26)27-2)9-24-6-5-12-13-7-11(22)3-4-16(13)23-19(12)20(24)18(10)14;1-10-16(25)8-13-14(21(26)27-2)9-24-7-6-12-11-4-3-5-15(22)18(11)23-19(12)20(24)17(10)13;1-10-17(25)8-14-15(21(26)27-2)9-23-6-5-12-13-7-11(24)3-4-16(13)22-19(12)20(23)18(10)14/h3-9,12,14,16,21,24-25,27,29,31H,10-11,13,15H2,1-2H3;4-5,8,10,12,15,18-19,21,23,25H,6-7,9H2,1-3H3;3-4,7,9-10,14,17-18,20,23,25H,5-6,8H2,1-2H3;3-5,9-10,13,16-17,20,23,25H,6-8H2,1-2H3;3-4,7,9-10,14,17-18,20,22,24-25H,5-6,8H2,1-2H3/t16-,21+,24-,25+,27-;12-,15+,18-,19+,21-;10-,14+,17-,18+,20-;10-,13+,16-,17+,20-;10-,14+,17-,18+,20-/m00000/s1
• InChIKey: AVOVIHGFDDHAIV-XTRDSICKSA-N
• XLogP: 16.35
• TPSA: 357.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1995.21
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate?

The IUPAC name of methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate (CID 157244385) is methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate.

What is the SMILES notation for methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate?

The canonical SMILES for methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate is COC(=O)C1=CN2CCc3c([nH]c4c(F)cccc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.COC(=O)C1=CN2CCc3c([nH]c4ccc(Br)cc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.COC(=O)C1=CN2CCc3c([nH]c4ccc(C)cc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.COC(=O)C1=CN2CCc3c([nH]c4ccc(O)cc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.COC(=O)C1=CN2CCc3c([nH]c4ccc(OCc5ccccc5)cc34)[C@@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12.

What is the InChIKey of methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate?

The InChIKey is AVOVIHGFDDHAIV-XTRDSICKSA-N. The full InChI is InChI=1S/C28H30N2O4.C22H26N2O3.C21H23BrN2O3.C21H23FN2O3.C21H24N2O4/c1-16-24(31)13-21-22(28(32)33-2)14-30-11-10-19-20-12-18(34-15-17-6-4-3-5-7-17)8-9-23(20)29-26(19)27(30)25(16)21;1-11-4-5-17-14(8-11)13-6-7-24-10-16(22(26)27-3)15-9-18(25)12(2)19(15)21(24)20(13)23-17;1-10-17(25)8-14-15(21(26)27-2)9-24-6-5-12-13-7-11(22)3-4-16(13)23-19(12)20(24)18(10)14;1-10-16(25)8-13-14(21(26)27-2)9-24-7-6-12-11-4-3-5-15(22)18(11)23-19(12)20(24)17(10)13;1-10-17(25)8-14-15(21(26)27-2)9-23-6-5-12-13-7-11(24)3-4-16(13)22-19(12)20(23)18(10)14/h3-9,12,14,16,21,24-25,27,29,31H,10-11,13,15H2,1-2H3;4-5,8,10,12,15,18-19,21,23,25H,6-7,9H2,1-3H3;3-4,7,9-10,14,17-18,20,23,25H,5-6,8H2,1-2H3;3-5,9-10,13,16-17,20,23,25H,6-8H2,1-2H3;3-4,7,9-10,14,17-18,20,22,24-25H,5-6,8H2,1-2H3/t16-,21+,24-,25+,27-;12-,15+,18-,19+,21-;10-,14+,17-,18+,20-;10-,13+,16-,17+,20-;10-,14+,17-,18+,20-/m00000/s1.

What are the key properties of methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate?

methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate has a molecular weight of 1995.21 g/mol, XLogP of 16.35, 8 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2S,3S,4R,5S,7S)-16-bromo-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-18-fluoro-5-hydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4,16-dimethyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate;methyl (2S,3S,4R,5S,7S)-5-hydroxy-4-methyl-16-phenylmethoxy-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate is sourced from PubChem (CID 157244385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).