[(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate

C108H123N11O18 — CID 158702353

IUPAC[(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
SMILESCOC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@H](C)[C@H]2C(C#N)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12.COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2C(OC(C)=O)=CO[C@H](C)[C@H]2CN1CC3
InChIInChI=1S/C22H23N3O3.C22H26N2O4.C22H26N2O3.2C21H24N2O4/c1-12-20-15(16(11-28-12)22(26)27-2)9-18-21-14(7-8-25(18)19(20)10-23)13-5-3-4-6-17(13)24-21;1-12-18-10-24-7-6-16-15-5-4-14(26-3)8-19(15)23-22(16)20(24)9-17(18)21(11-27-12)28-13(2)25;1-12-4-5-19-16(8-12)14-6-7-24-10-17-13(2)27-11-18(22(25)26-3)15(17)9-20(24)21(14)23-19;1-11-16-9-23-6-5-13-15-7-12(24)3-4-18(15)22-20(13)19(23)8-14(16)17(10-27-11)21(25)26-2;1-11-16-9-23-6-5-14-13-4-3-12(24)7-18(13)22-20(14)19(23)8-15(16)17(10-27-11)21(25)26-2/h3-6,11-12,15,18-20,24H,7-9H2,1-2H3;4-5,8,11-12,17-18,20,23H,6-7,9-10H2,1-3H3;4-5,8,11,13,15,17,20,23H,6-7,9-10H2,1-3H3;3-4,7,10-11,14,16,19,22,24H,5-6,8-9H2,1-2H3;3-4,7,10-11,15-16,19,22,24H,5-6,8-9H2,1-2H3/t12-,15-,18+,19?,20-;12-,17+,18-,20+;13-,15-,17-,20-;11-,14-,16+,19-;11-,15-,16+,19-/m11000/s1
InChIKeyIHRUKSPJNFLQSY-XPKABZRVSA-N
MW1863.23 g/mol
LogP15.86
Rot. Bonds6

About [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate

[(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate (PubChem CID 158702353) has the molecular formula C108H123N11O18 and a molecular weight of 1863.23 g/mol. Its IUPAC name is [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate.

Molecular Properties

Compound Name[(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
PubChem CID158702353
Molecular FormulaC108H123N11O18
Molecular Weight1863.23 g/mol
Exact Mass1861.90
IUPAC Name[(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
SMILESCOC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@H](C)[C@H]2C(C#N)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12.COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2C(OC(C)=O)=CO[C@H](C)[C@H]2CN1CC3
InChIInChI=1S/C22H23N3O3.C22H26N2O4.C22H26N2O3.2C21H24N2O4/c1-12-20-15(16(11-28-12)22(26)27-2)9-18-21-14(7-8-25(18)19(20)10-23)13-5-3-4-6-17(13)24-21;1-12-18-10-24-7-6-16-15-5-4-14(26-3)8-19(15)23-22(16)20(24)9-17(18)21(11-27-12)28-13(2)25;1-12-4-5-19-16(8-12)14-6-7-24-10-17-13(2)27-11-18(22(25)26-3)15(17)9-20(24)21(14)23-19;1-11-16-9-23-6-5-13-15-7-12(24)3-4-18(15)22-20(13)19(23)8-14(16)17(10-27-11)21(25)26-2;1-11-16-9-23-6-5-14-13-4-3-12(24)7-18(13)22-20(14)19(23)8-15(16)17(10-27-11)21(25)26-2/h3-6,11-12,15,18-20,24H,7-9H2,1-2H3;4-5,8,11-12,17-18,20,23H,6-7,9-10H2,1-3H3;4-5,8,11,13,15,17,20,23H,6-7,9-10H2,1-3H3;3-4,7,10-11,14,16,19,22,24H,5-6,8-9H2,1-2H3;3-4,7,10-11,15-16,19,22,24H,5-6,8-9H2,1-2H3/t12-,15-,18+,19?,20-;12-,17+,18-,20+;13-,15-,17-,20-;11-,14-,16+,19-;11-,15-,16+,19-/m11000/s1
InChIKeyIHRUKSPJNFLQSY-XPKABZRVSA-N
XLogP15.86
TPSA346.28 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001863.23
LogP ≤ 515.86
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate?
The IUPAC name of [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate (CID 158702353) is [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate.
What is the SMILES notation for [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate?
The canonical SMILES for [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate is COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(C)cc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccc(O)cc45)[C@@H]3C[C@H]12.COC(=O)C1=CO[C@H](C)[C@H]2C(C#N)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12.COc1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2C(OC(C)=O)=CO[C@H](C)[C@H]2CN1CC3.
What is the InChIKey of [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate?
The InChIKey is IHRUKSPJNFLQSY-XPKABZRVSA-N. The full InChI is InChI=1S/C22H23N3O3.C22H26N2O4.C22H26N2O3.2C21H24N2O4/c1-12-20-15(16(11-28-12)22(26)27-2)9-18-21-14(7-8-25(18)19(20)10-23)13-5-3-4-6-17(13)24-21;1-12-18-10-24-7-6-16-15-5-4-14(26-3)8-19(15)23-22(16)20(24)9-17(18)21(11-27-12)28-13(2)25;1-12-4-5-19-16(8-12)14-6-7-24-10-17-13(2)27-11-18(22(25)26-3)15(17)9-20(24)21(14)23-19;1-11-16-9-23-6-5-13-15-7-12(24)3-4-18(15)22-20(13)19(23)8-14(16)17(10-27-11)21(25)26-2;1-11-16-9-23-6-5-14-13-4-3-12(24)7-18(13)22-20(14)19(23)8-15(16)17(10-27-11)21(25)26-2/h3-6,11-12,15,18-20,24H,7-9H2,1-2H3;4-5,8,11-12,17-18,20,23H,6-7,9-10H2,1-3H3;4-5,8,11,13,15,17,20,23H,6-7,9-10H2,1-3H3;3-4,7,10-11,14,16,19,22,24H,5-6,8-9H2,1-2H3;3-4,7,10-11,15-16,19,22,24H,5-6,8-9H2,1-2H3/t12-,15-,18+,19?,20-;12-,17+,18-,20+;13-,15-,17-,20-;11-,14-,16+,19-;11-,15-,16+,19-/m11000/s1.
What are the key properties of [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate?
[(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate has a molecular weight of 1863.23 g/mol, XLogP of 15.86, 6 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,15R,16R,20S)-6-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaen-19-yl] acetate;methyl (1S,15R,16R,20S)-14-cyano-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;methyl (1S,15S,16S,20S)-7,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-6-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate;methyl (1S,15R,16S,20S)-7-hydroxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate is sourced from PubChem (CID 158702353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).