methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate

C92H114Cl4N6O32 — CID 91235462

About methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate

methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate (PubChem CID 91235462) has the molecular formula C92H114Cl4N6O32 and a molecular weight of 1957.75 g/mol. Its IUPAC name is methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate.

Molecular Properties

• Compound Name: methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate
• PubChem CID: 91235462
• Molecular Formula: C92H114Cl4N6O32
• Molecular Weight: 1957.75 g/mol
• Exact Mass: 1954.62
• IUPAC Name: methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate
• SMILES: COC(=O)CON=C1C=C(NOCC(=O)OC)Cc2c(Cl)c(C)cc(C)c2C(=O)OC(C)C/C=C/CC1.COC(=O)CON=C1C=C(NOCC(=O)OC)Cc2c(Cl)c(O)cc(O)c2C(=O)OC(C)C/C=C/CC1.COC(=O)CON=C1C=CCC/C=C/CC(C)OC(=O)c2c(O)cc(O)c(Cl)c2C1.COC(=O)CONC1CC/C=C/CC(C)OC(=O)c2c(O)cc(O)c(Cl)c2CCC1
• InChI: InChI=1S/C26H33ClN2O8.C24H29ClN2O10.C21H28ClNO7.C21H24ClNO7/c1-16-11-17(2)25(27)21-13-20(29-36-15-23(31)34-5)12-19(28-35-14-22(30)33-4)10-8-6-7-9-18(3)37-26(32)24(16)21;1-14-7-5-4-6-8-15(26-35-12-20(30)33-2)9-16(27-36-13-21(31)34-3)10-17-22(24(32)37-14)18(28)11-19(29)23(17)25;1-13-7-4-3-5-8-14(23-29-12-18(26)28-2)9-6-10-15-19(21(27)30-13)16(24)11-17(25)20(15)22;1-13-8-6-4-3-5-7-9-14(23-29-12-18(26)28-2)10-15-19(21(27)30-13)16(24)11-17(25)20(15)22/h6-7,11-12,18,29H,8-10,13-15H2,1-5H3;4-5,9,11,14,27-29H,6-8,10,12-13H2,1-3H3;3-4,11,13-14,23-25H,5-10,12H2,1-2H3;4,6-7,9,11,13,24-25H,3,5,8,10,12H2,1-2H3/b7-6+,20-12?,28-19?;5-4+,16-9?,26-15?;4-3+;6-4+,9-7?,23-14?
• InChIKey: GRIAYIVFRXJSJG-OJMRDVDYSA-N
• XLogP: 13.71
• TPSA: 512.93 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1957.75
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate?

The IUPAC name of methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate (CID 91235462) is methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate.

What is the SMILES notation for methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate?

The canonical SMILES for methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate is COC(=O)CON=C1C=C(NOCC(=O)OC)Cc2c(Cl)c(C)cc(C)c2C(=O)OC(C)C/C=C/CC1.COC(=O)CON=C1C=C(NOCC(=O)OC)Cc2c(Cl)c(O)cc(O)c2C(=O)OC(C)C/C=C/CC1.COC(=O)CON=C1C=CCC/C=C/CC(C)OC(=O)c2c(O)cc(O)c(Cl)c2C1.COC(=O)CONC1CC/C=C/CC(C)OC(=O)c2c(O)cc(O)c(Cl)c2CCC1.

What is the InChIKey of methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate?

The InChIKey is GRIAYIVFRXJSJG-OJMRDVDYSA-N. The full InChI is InChI=1S/C26H33ClN2O8.C24H29ClN2O10.C21H28ClNO7.C21H24ClNO7/c1-16-11-17(2)25(27)21-13-20(29-36-15-23(31)34-5)12-19(28-35-14-22(30)33-4)10-8-6-7-9-18(3)37-26(32)24(16)21;1-14-7-5-4-6-8-15(26-35-12-20(30)33-2)9-16(27-36-13-21(31)34-3)10-17-22(24(32)37-14)18(28)11-19(29)23(17)25;1-13-7-4-3-5-8-14(23-29-12-18(26)28-2)9-6-10-15-19(21(27)30-13)16(24)11-17(25)20(15)22;1-13-8-6-4-3-5-7-9-14(23-29-12-18(26)28-2)10-15-19(21(27)30-13)16(24)11-17(25)20(15)22/h6-7,11-12,18,29H,8-10,13-15H2,1-5H3;4-5,9,11,14,27-29H,6-8,10,12-13H2,1-3H3;3-4,11,13-14,23-25H,5-10,12H2,1-2H3;4,6-7,9,11,13,24-25H,3,5,8,10,12H2,1-2H3/b7-6+,20-12?,28-19?;5-4+,16-9?,26-15?;4-3+;6-4+,9-7?,23-14?.

What are the key properties of methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate?

methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate has a molecular weight of 1957.75 g/mol, XLogP of 13.71, 21 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-10-(2-methoxy-2-oxoethoxy)imino-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-10-yl]amino]oxyacetate;methyl 2-[[(6E)-15-chloro-10-(2-methoxy-2-oxoethoxy)imino-4,16,18-trimethyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),6,11,15,17-pentaen-12-yl]amino]oxyacetate is sourced from PubChem (CID 91235462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).