[(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate

C123H167N7O33 — CID 158390707

IUPAC[(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate
SMILESCO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(CCC3CC3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)C(OC(C)=O)/C(C)=C/[C@H](C)C1=O)C2=O
InChIInChI=1S/C34H47NO8.C31H42N2O9.C29H40N2O8.C29H38N2O8/c1-19-15-26-25(14-13-24-11-12-24)28(37)18-27(32(26)39)35-34(40)20(2)9-8-10-29(41-6)33(43-23(5)36)22(4)17-21(3)31(38)30(16-19)42-7;1-16-12-22-27(32)24(36)15-23(28(22)37)33-31(38)17(2)10-9-11-25(39-7)29(41-20(5)34)18(3)14-19(4)30(42-21(6)35)26(13-16)40-8;2*1-15-11-20-25(30)22(33)14-21(27(20)35)31-29(36)16(2)9-8-10-23(37-6)28(39-19(5)32)18(4)13-17(3)26(34)24(12-15)38-7/h8-10,17-19,21,24,29-31,33,38H,11-16H2,1-7H3,(H,35,40);9-11,14-16,19,25-26,29-30H,12-13,32H2,1-8H3,(H,33,38);8-10,13-15,17,23-24,26,28,34H,11-12,30H2,1-7H3,(H,31,36);8-10,13-15,17,23-24,28H,11-12,30H2,1-7H3,(H,31,36)/b10-8-,20-9+,22-17+;11-9-,17-10+,18-14+;2*10-8-,16-9+,18-13+/t19-,21+,29+,30+,31-,33?;16-,19+,25+,26+,29?,30-;15-,17+,23+,24+,26-,28?;15-,17+,23+,24+,28?/m1111/s1
InChIKeyGWXSUPDFKKKLSF-ARYVFPIPSA-N
MW2271.70 g/mol
LogP11.81
Rot. Bonds16

About [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate

[(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate (PubChem CID 158390707) has the molecular formula C123H167N7O33 and a molecular weight of 2271.70 g/mol. Its IUPAC name is [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate.

Molecular Properties

Compound Name[(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate
PubChem CID158390707
Molecular FormulaC123H167N7O33
Molecular Weight2271.70 g/mol
Exact Mass2270.16
IUPAC Name[(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate
SMILESCO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(CCC3CC3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)C(OC(C)=O)/C(C)=C/[C@H](C)C1=O)C2=O
InChIInChI=1S/C34H47NO8.C31H42N2O9.C29H40N2O8.C29H38N2O8/c1-19-15-26-25(14-13-24-11-12-24)28(37)18-27(32(26)39)35-34(40)20(2)9-8-10-29(41-6)33(43-23(5)36)22(4)17-21(3)31(38)30(16-19)42-7;1-16-12-22-27(32)24(36)15-23(28(22)37)33-31(38)17(2)10-9-11-25(39-7)29(41-20(5)34)18(3)14-19(4)30(42-21(6)35)26(13-16)40-8;2*1-15-11-20-25(30)22(33)14-21(27(20)35)31-29(36)16(2)9-8-10-23(37-6)28(39-19(5)32)18(4)13-17(3)26(34)24(12-15)38-7/h8-10,17-19,21,24,29-31,33,38H,11-16H2,1-7H3,(H,35,40);9-11,14-16,19,25-26,29-30H,12-13,32H2,1-8H3,(H,33,38);8-10,13-15,17,23-24,26,28,34H,11-12,30H2,1-7H3,(H,31,36);8-10,13-15,17,23-24,28H,11-12,30H2,1-7H3,(H,31,36)/b10-8-,20-9+,22-17+;11-9-,17-10+,18-14+;2*10-8-,16-9+,18-13+/t19-,21+,29+,30+,31-,33?;16-,19+,25+,26+,29?,30-;15-,17+,23+,24+,26-,28?;15-,17+,23+,24+,28?/m1111/s1
InChIKeyGWXSUPDFKKKLSF-ARYVFPIPSA-N
XLogP11.81
TPSA593.89 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.70
LogP ≤ 511.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate?
The IUPAC name of [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate (CID 158390707) is [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate.
What is the SMILES notation for [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate?
The canonical SMILES for [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate is CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(CCC3CC3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(N)=C(C[C@@H](C)C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)/C=C(\C)C1OC(C)=O)C2=O.CO[C@H]1C[C@H](C)CC2=C(N)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)C(OC(C)=O)/C(C)=C/[C@H](C)C1=O)C2=O.
What is the InChIKey of [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate?
The InChIKey is GWXSUPDFKKKLSF-ARYVFPIPSA-N. The full InChI is InChI=1S/C34H47NO8.C31H42N2O9.C29H40N2O8.C29H38N2O8/c1-19-15-26-25(14-13-24-11-12-24)28(37)18-27(32(26)39)35-34(40)20(2)9-8-10-29(41-6)33(43-23(5)36)22(4)17-21(3)31(38)30(16-19)42-7;1-16-12-22-27(32)24(36)15-23(28(22)37)33-31(38)17(2)10-9-11-25(39-7)29(41-20(5)34)18(3)14-19(4)30(42-21(6)35)26(13-16)40-8;2*1-15-11-20-25(30)22(33)14-21(27(20)35)31-29(36)16(2)9-8-10-23(37-6)28(39-19(5)32)18(4)13-17(3)26(34)24(12-15)38-7/h8-10,17-19,21,24,29-31,33,38H,11-16H2,1-7H3,(H,35,40);9-11,14-16,19,25-26,29-30H,12-13,32H2,1-8H3,(H,33,38);8-10,13-15,17,23-24,26,28,34H,11-12,30H2,1-7H3,(H,31,36);8-10,13-15,17,23-24,28H,11-12,30H2,1-7H3,(H,31,36)/b10-8-,20-9+,22-17+;11-9-,17-10+,18-14+;2*10-8-,16-9+,18-13+/t19-,21+,29+,30+,31-,33?;16-,19+,25+,26+,29?,30-;15-,17+,23+,24+,26-,28?;15-,17+,23+,24+,28?/m1111/s1.
What are the key properties of [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate?
[(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate has a molecular weight of 2271.70 g/mol, XLogP of 11.81, 16 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,6Z,8S,10E,12S,13R,14S,16R)-9-acetyloxy-19-amino-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-13-yl] acetate;[(4E,6Z,8S,10E,12S,14S,16R)-19-amino-8,14-dimethoxy-4,10,12,16-tetramethyl-3,13,20,22-tetraoxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-amino-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] acetate;[(4E,6Z,8S,10E,12S,13R,14S,16R)-19-(2-cyclopropylethyl)-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] acetate is sourced from PubChem (CID 158390707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).