1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate

C128H198N6O62S4 — CID 159540851

IUPAC1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)COC.C=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)CSCC.C=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCSCC.C=C(C)C(=O)OCCOC(=O)CCC(=O)OCCC(=O)OC(C)COC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)COC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)CSCC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCSCC.C=CC(=O)OCCOC(=O)CCC(=O)OCCC(=O)OC(C)COC
InChIInChI=1S/C17H27NO7S.C17H26O9.C16H25NO8.2C16H25NO7S.C16H24O9.C15H23NO8.C15H23NO7S/c1-5-26-11-13(4)25-16(21)10-18-14(19)6-7-15(20)23-8-9-24-17(22)12(2)3;1-12(2)17(21)25-10-9-24-15(19)6-5-14(18)23-8-7-16(20)26-13(3)11-22-4;1-11(2)16(21)24-8-7-23-14(19)6-5-13(18)17-9-15(20)25-12(3)10-22-4;1-4-25-10-9-23-15(20)11-17-13(18)5-6-14(19)22-7-8-24-16(21)12(2)3;1-4-14(19)22-8-9-23-15(20)7-6-13(18)17-10-16(21)24-12(3)11-25-5-2;1-4-13(17)23-9-10-24-15(19)6-5-14(18)22-8-7-16(20)25-12(2)11-21-3;1-4-13(18)22-7-8-23-14(19)6-5-12(17)16-9-15(20)24-11(2)10-21-3;1-3-13(18)21-7-8-22-14(19)6-5-12(17)16-11-15(20)23-9-10-24-4-2/h13H,2,5-11H2,1,3-4H3,(H,18,19);13H,1,5-11H2,2-4H3;12H,1,5-10H2,2-4H3,(H,17,18);2,4-11H2,1,3H3,(H,17,18);4,12H,1,5-11H2,2-3H3,(H,17,18);4,12H,1,5-11H2,2-3H3;4,11H,1,5-10H2,2-3H3,(H,16,17);3H,1,4-11H2,2H3,(H,16,17)
InChIKeyMEENLVKJRNCJHR-UHFFFAOYSA-N
MW2941.24 g/mol
LogP4.71
Rot. Bonds102

About 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate

1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate (PubChem CID 159540851) has the molecular formula C128H198N6O62S4 and a molecular weight of 2941.24 g/mol. Its IUPAC name is 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Name1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate
PubChem CID159540851
Molecular FormulaC128H198N6O62S4
Molecular Weight2941.24 g/mol
Exact Mass2939.14
IUPAC Name1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate
SMILESC=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)COC.C=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)CSCC.C=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCSCC.C=C(C)C(=O)OCCOC(=O)CCC(=O)OCCC(=O)OC(C)COC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)COC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)CSCC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCSCC.C=CC(=O)OCCOC(=O)CCC(=O)OCCC(=O)OC(C)COC
InChIInChI=1S/C17H27NO7S.C17H26O9.C16H25NO8.2C16H25NO7S.C16H24O9.C15H23NO8.C15H23NO7S/c1-5-26-11-13(4)25-16(21)10-18-14(19)6-7-15(20)23-8-9-24-17(22)12(2)3;1-12(2)17(21)25-10-9-24-15(19)6-5-14(18)23-8-7-16(20)26-13(3)11-22-4;1-11(2)16(21)24-8-7-23-14(19)6-5-13(18)17-9-15(20)25-12(3)10-22-4;1-4-25-10-9-23-15(20)11-17-13(18)5-6-14(19)22-7-8-24-16(21)12(2)3;1-4-14(19)22-8-9-23-15(20)7-6-13(18)17-10-16(21)24-12(3)11-25-5-2;1-4-13(17)23-9-10-24-15(19)6-5-14(18)22-8-7-16(20)25-12(2)11-21-3;1-4-13(18)22-7-8-23-14(19)6-5-12(17)16-9-15(20)24-11(2)10-21-3;1-3-13(18)21-7-8-22-14(19)6-5-12(17)16-11-15(20)23-9-10-24-4-2/h13H,2,5-11H2,1,3-4H3,(H,18,19);13H,1,5-11H2,2-4H3;12H,1,5-10H2,2-4H3,(H,17,18);2,4-11H2,1,3H3,(H,17,18);4,12H,1,5-11H2,2-3H3,(H,17,18);4,12H,1,5-11H2,2-3H3;4,11H,1,5-10H2,2-3H3,(H,16,17);3H,1,4-11H2,2H3,(H,16,17)
InChIKeyMEENLVKJRNCJHR-UHFFFAOYSA-N
XLogP4.71
TPSA895.32 Ų
H-Bond Donors6
H-Bond Acceptors66
Rotatable Bonds102
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002941.24
LogP ≤ 54.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate?
The IUPAC name of 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate (CID 159540851) is 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate.
What is the SMILES notation for 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate?
The canonical SMILES for 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate is C=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)COC.C=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)CSCC.C=C(C)C(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCSCC.C=C(C)C(=O)OCCOC(=O)CCC(=O)OCCC(=O)OC(C)COC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)COC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OC(C)CSCC.C=CC(=O)OCCOC(=O)CCC(=O)NCC(=O)OCCSCC.C=CC(=O)OCCOC(=O)CCC(=O)OCCC(=O)OC(C)COC.
What is the InChIKey of 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate?
The InChIKey is MEENLVKJRNCJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO7S.C17H26O9.C16H25NO8.2C16H25NO7S.C16H24O9.C15H23NO8.C15H23NO7S/c1-5-26-11-13(4)25-16(21)10-18-14(19)6-7-15(20)23-8-9-24-17(22)12(2)3;1-12(2)17(21)25-10-9-24-15(19)6-5-14(18)23-8-7-16(20)26-13(3)11-22-4;1-11(2)16(21)24-8-7-23-14(19)6-5-13(18)17-9-15(20)25-12(3)10-22-4;1-4-25-10-9-23-15(20)11-17-13(18)5-6-14(19)22-7-8-24-16(21)12(2)3;1-4-14(19)22-8-9-23-15(20)7-6-13(18)17-10-16(21)24-12(3)11-25-5-2;1-4-13(17)23-9-10-24-15(19)6-5-14(18)22-8-7-16(20)25-12(2)11-21-3;1-4-13(18)22-7-8-23-14(19)6-5-12(17)16-9-15(20)24-11(2)10-21-3;1-3-13(18)21-7-8-22-14(19)6-5-12(17)16-11-15(20)23-9-10-24-4-2/h13H,2,5-11H2,1,3-4H3,(H,18,19);13H,1,5-11H2,2-4H3;12H,1,5-10H2,2-4H3,(H,17,18);2,4-11H2,1,3H3,(H,17,18);4,12H,1,5-11H2,2-3H3,(H,17,18);4,12H,1,5-11H2,2-3H3;4,11H,1,5-10H2,2-3H3,(H,16,17);3H,1,4-11H2,2H3,(H,16,17).
What are the key properties of 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate?
1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate has a molecular weight of 2941.24 g/mol, XLogP of 4.71, 102 rotatable bonds, 6 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-methoxypropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-(2-methylprop-2-enoyloxy)ethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate;2-prop-2-enoyloxyethyl 4-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 159540851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).