(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane

C140H186Cl3N13O34 — CID 172948871

About (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane (PubChem CID 172948871) has the molecular formula C140H186Cl3N13O34 and a molecular weight of 2701.44 g/mol. Its IUPAC name is (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane.

Molecular Properties

• Compound Name: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane
• PubChem CID: 172948871
• Molecular Formula: C140H186Cl3N13O34
• Molecular Weight: 2701.44 g/mol
• Exact Mass: 2698.23
• IUPAC Name: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane
• SMILES: C.C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(=C)N)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O.CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O.C[C@@H]1C[C@@H]2C[C@H]2/C=C/C=C/C(=N/OCCN2CCCC2=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C[C@@H]2C[C@H]2/C=C/C=C/C(NOCCN2CCCC2=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C[C@H]2O[C@]2(C)/C=C/C=C/C(=N/OCCN2CCCC2=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
• InChI: InChI=1S/C32H48N4O8.C32H45N3O7.C25H29ClN2O7.C25H31ClN2O6.C25H29ClN2O6.CH4/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8;1-9-13-34-28-23-14-18(2)15-27(41-8)29(37)20(4)16-21(5)31(42-22(6)33)26(40-7)12-10-11-19(3)32(39)35-24(30(23)38)17-25(28)36;1-15-12-20-25(2,35-20)8-4-3-6-16(27-33-11-10-28-9-5-7-21(28)31)13-17-22(24(32)34-15)18(29)14-19(30)23(17)26;2*1-15-11-17-12-16(17)5-2-3-6-18(27-33-10-9-28-8-4-7-22(28)31)13-19-23(25(32)34-15)20(29)14-21(30)24(19)26;/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40);9-12,16-18,20,26-27,29,31,34,37H,1,6,13-15,33H2,2-5,7-8H3,(H,35,39);3-4,6,8,14-15,20,29-30H,5,7,9-13H2,1-2H3;2-3,5-6,14-18,27,29-30H,4,7-13H2,1H3;2-3,5-6,14-17,29-30H,4,7-13H2,1H3;1H4/b11-9-,19-10+,21-16+;12-10-,19-11+,21-16+;6-3+,8-4+,27-16-;5-2+,6-3+;5-2+,6-3+,27-18-;/t18-,20+,25+,26+,28-,30+;18-,20+,26+,27+,29-,31+;15-,20-,25-;15-,16-,17-,18?;15-,16-,17-;/m11111./s1
• InChIKey: GCCZOCXHAYRNNG-IDTFUUJOSA-N
• XLogP: 16.44
• TPSA: 656.91 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 27
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2701.44
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane?

The IUPAC name of (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane (CID 172948871) is (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane.

What is the SMILES notation for (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane?

The canonical SMILES for (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane is C.C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(=C)N)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O.CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O.C[C@@H]1C[C@@H]2C[C@H]2/C=C/C=C/C(=N/OCCN2CCCC2=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C[C@@H]2C[C@H]2/C=C/C=C/C(NOCCN2CCCC2=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.C[C@@H]1C[C@H]2O[C@]2(C)/C=C/C=C/C(=N/OCCN2CCCC2=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1.

What is the InChIKey of (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane?

The InChIKey is GCCZOCXHAYRNNG-IDTFUUJOSA-N. The full InChI is InChI=1S/C32H48N4O8.C32H45N3O7.C25H29ClN2O7.C25H31ClN2O6.C25H29ClN2O6.CH4/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8;1-9-13-34-28-23-14-18(2)15-27(41-8)29(37)20(4)16-21(5)31(42-22(6)33)26(40-7)12-10-11-19(3)32(39)35-24(30(23)38)17-25(28)36;1-15-12-20-25(2,35-20)8-4-3-6-16(27-33-11-10-28-9-5-7-21(28)31)13-17-22(24(32)34-15)18(29)14-19(30)23(17)26;2*1-15-11-17-12-16(17)5-2-3-6-18(27-33-10-9-28-8-4-7-22(28)31)13-19-23(25(32)34-15)20(29)14-21(30)24(19)26;/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40);9-12,16-18,20,26-27,29,31,34,37H,1,6,13-15,33H2,2-5,7-8H3,(H,35,39);3-4,6,8,14-15,20,29-30H,5,7,9-13H2,1-2H3;2-3,5-6,14-18,27,29-30H,4,7-13H2,1H3;2-3,5-6,14-17,29-30H,4,7-13H2,1H3;1H4/b11-9-,19-10+,21-16+;12-10-,19-11+,21-16+;6-3+,8-4+,27-16-;5-2+,6-3+;5-2+,6-3+,27-18-;/t18-,20+,25+,26+,28-,30+;18-,20+,26+,27+,29-,31+;15-,20-,25-;15-,16-,17-,18?;15-,16-,17-;/m11111./s1.

What are the key properties of (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane?

(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane has a molecular weight of 2701.44 g/mol, XLogP of 16.44, 27 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(1-aminoethenoxy)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione;1-[2-[(E)-[(4R,6R,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4,8-dimethyl-2-oxo-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;1-[2-[[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-yl]amino]oxyethyl]pyrrolidin-2-one;1-[2-[(E)-[(4R,6S,8R,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-2-oxo-3-oxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaen-13-ylidene]amino]oxyethyl]pyrrolidin-2-one;[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate;methane is sourced from PubChem (CID 172948871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).