C234H368N8O106S10 — CID 158940192
[3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;1-O-[3-(2-ethylsulfanylethoxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(2-ethylsulfanylethoxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;4-O-[3-(1-ethylsulfanylpropan-2-yloxy)-2,2-dimethyl-3-oxopropyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;4-O-[3-(1-ethylsulfanylpropan-2-yloxy)-2,2-dimethyl-3-oxopropyl] 1-O-(2-prop-2-enoyloxyethyl) butanedioate;[3-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;1-O-[3-(1-ethylsulfanylpropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-ethylsulfanylpropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;[3-[3-(1-methoxypropan-2-yloxy)-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate;1-methoxypropan-2-yl 3-(3-prop-2-enoyloxypropanoyloxy)propanoate (PubChem CID 158940192) has the molecular formula C234H368N8O106S10 and a molecular weight of 5310.14 g/mol. Its IUPAC name is [3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;1-O-[3-(2-ethylsulfanylethoxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(2-ethylsulfanylethoxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;4-O-[3-(1-ethylsulfanylpropan-2-yloxy)-2,2-dimethyl-3-oxopropyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;4-O-[3-(1-ethylsulfanylpropan-2-yloxy)-2,2-dimethyl-3-oxopropyl] 1-O-(2-prop-2-enoyloxyethyl) butanedioate;[3-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;1-O-[3-(1-ethylsulfanylpropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-ethylsulfanylpropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;[3-[3-(1-methoxypropan-2-yloxy)-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate;1-methoxypropan-2-yl 3-(3-prop-2-enoyloxypropanoyloxy)propanoate.
| Compound Name | [3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;1-O-[3-(2-ethylsulfanylethoxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(2-ethylsulfanylethoxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;4-O-[3-(1-ethylsulfanylpropan-2-yloxy)-2,2-dimethyl-3-oxopropyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;4-O-[3-(1-ethylsulfanylpropan-2-yloxy)-2,2-dimethyl-3-oxopropyl] 1-O-(2-prop-2-enoyloxyethyl) butanedioate;[3-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;1-O-[3-(1-ethylsulfanylpropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-ethylsulfanylpropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;[3-[3-(1-methoxypropan-2-yloxy)-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate;1-methoxypropan-2-yl 3-(3-prop-2-enoyloxypropanoyloxy)propanoate |
|---|---|
| PubChem CID | 158940192 |
| Molecular Formula | C234H368N8O106S10 |
| Molecular Weight | 5310.14 g/mol |
| Exact Mass | 5306.09 |
| IUPAC Name | [3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(2-ethylsulfanylethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;1-O-[3-(2-ethylsulfanylethoxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(2-ethylsulfanylethoxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;4-O-[3-(1-ethylsulfanylpropan-2-yloxy)-2,2-dimethyl-3-oxopropyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;4-O-[3-(1-ethylsulfanylpropan-2-yloxy)-2,2-dimethyl-3-oxopropyl] 1-O-(2-prop-2-enoyloxyethyl) butanedioate;[3-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(1-ethylsulfanylpropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;1-O-[3-(1-ethylsulfanylpropan-2-yloxy)-3-oxopropyl] 4-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate;1-O-[3-(1-ethylsulfanylpropan-2-yloxy)-3-oxopropyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate;[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(2-methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] 2-methylprop-2-enoate;[3-[[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate;[3-[3-(1-methoxypropan-2-yloxy)-3-oxopropoxy]-3-oxopropyl] 2-methylprop-2-enoate;1-methoxypropan-2-yl 3-(3-prop-2-enoyloxypropanoyloxy)propanoate |
| SMILES | C=C(C)C(=O)OCCC(=O)NCC(=O)OC(C)COC.C=C(C)C(=O)OCCC(=O)NCC(=O)OC(C)CSCC.C=C(C)C(=O)OCCC(=O)NCC(=O)OCCOC.C=C(C)C(=O)OCCC(=O)NCC(=O)OCCSCC.C=C(C)C(=O)OCCC(=O)OCCC(=O)OC(C)COC.C=C(C)C(=O)OCCOC(=O)CCC(=O)OCC(C)(C)C(=O)OC(C)CSCC.C=C(C)C(=O)OCCOC(=O)CCC(=O)OCCC(=O)OC(C)CSCC.C=C(C)C(=O)OCCOC(=O)CCC(=O)OCCC(=O)OCCSCC.C=CC(=O)OCCC(=O)NCC(=O)OC(C)COC.C=CC(=O)OCCC(=O)NCC(=O)OC(C)CSCC.C=CC(=O)OCCC(=O)NCC(=O)OCCOC.C=CC(=O)OCCC(=O)NCC(=O)OCCSCC.C=CC(=O)OCCC(=O)OCCC(=O)OC(C)COC.C=CC(=O)OCCOC(=O)CCC(=O)OCC(C)(C)C(=O)OC(C)CSCC.C=CC(=O)OCCOC(=O)CCC(=O)OCCC(=O)OC(C)CSCC.C=CC(=O)OCCOC(=O)CCC(=O)OCCC(=O)OCCSCC |
| InChI | InChI=1S/C20H32O8S.C19H30O8S.C18H28O8S.2C17H26O8S.C16H24O8S.C14H23NO5S.C14H22O7.C13H21NO6.2C13H21NO5S.C13H20O7.2C12H19NO6.C12H19NO5S.C11H17NO6/c1-7-29-12-15(4)28-19(24)20(5,6)13-27-17(22)9-8-16(21)25-10-11-26-18(23)14(2)3;1-6-15(20)24-10-11-25-16(21)8-9-17(22)26-13-19(4,5)18(23)27-14(3)12-28-7-2;1-5-27-12-14(4)26-17(21)8-9-23-15(19)6-7-16(20)24-10-11-25-18(22)13(2)3;1-4-26-12-11-24-16(20)7-8-22-14(18)5-6-15(19)23-9-10-25-17(21)13(2)3;1-4-14(18)23-10-11-24-16(20)7-6-15(19)22-9-8-17(21)25-13(3)12-26-5-2;1-3-13(17)22-9-10-23-15(19)6-5-14(18)21-8-7-16(20)24-11-12-25-4-2;1-5-21-9-11(4)20-13(17)8-15-12(16)6-7-19-14(18)10(2)3;1-10(2)14(17)20-8-5-12(15)19-7-6-13(16)21-11(3)9-18-4;1-9(2)13(17)19-6-5-11(15)14-7-12(16)20-10(3)8-18-4;1-4-20-8-7-18-12(16)9-14-11(15)5-6-19-13(17)10(2)3;1-4-12(16)18-7-6-11(15)14-8-13(17)19-10(3)9-20-5-2;1-4-11(14)18-7-5-12(15)19-8-6-13(16)20-10(2)9-17-3;1-9(2)12(16)19-5-4-10(14)13-8-11(15)18-7-6-17-3;1-4-11(15)18-6-5-10(14)13-7-12(16)19-9(2)8-17-3;1-3-11(15)17-6-5-10(14)13-9-12(16)18-7-8-19-4-2;1-3-10(14)17-5-4-9(13)12-8-11(15)18-7-6-16-2/h15H,2,7-13H2,1,3-6H3;6,14H,1,7-13H2,2-5H3;14H,2,5-12H2,1,3-4H3;2,4-12H2,1,3H3;4,13H,1,5-12H2,2-3H3;3H,1,4-12H2,2H3;11H,2,5-9H2,1,3-4H3,(H,15,16);11H,1,5-9H2,2-4H3;10H,1,5-8H2,2-4H3,(H,14,15);2,4-9H2,1,3H3,(H,14,15);4,10H,1,5-9H2,2-3H3,(H,14,15);4,10H,1,5-9H2,2-3H3;1,4-8H2,2-3H3,(H,13,14);4,9H,1,5-8H2,2-3H3,(H,13,14);3H,1,4-9H2,2H3,(H,13,14);3H,1,4-8H2,2H3,(H,12,13) |
| InChIKey | JKDMRUCWZMOJEI-UHFFFAOYSA-N |
| XLogP | 16.07 |
| TPSA | 1497.98 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 116 |
| Rotatable Bonds | 180 |
| Heavy Atoms | 358 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5310.14 |
| LogP ≤ 5 | 16.07 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 116 |