[(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium

C244H382N28O98+14 — CID 158729388

IUPAC[(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium
SMILESC=[N+]=CC(=O)CCC(NC(=O)OC(C)OC(=O)C(C)(C)C)C(=O)OCC.C=[N+]=CC(=O)CCC(NC(=O)OC(C)OC(=O)C(C)C)C(=O)OCC.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)(C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)(C)C)C(=O)O.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)O.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)OCC.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(OC(=O)C(C)(C)C)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(OC(=O)C(C)(C)C)c1ccccc1)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OCOC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OCOC(=O)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C23H30N2O7.C20H32N2O7.C19H30N2O7.3C18H28N2O7.3C17H26N2O7.3C16H24N2O7.C15H22N2O7.C14H20N2O7/c1-15(2)30-19(27)18(13-12-17(26)14-24-6)25-22(29)32-20(16-10-8-7-9-11-16)31-21(28)23(3,4)5;1-12(2)17(28-18(25)20(5,6)7)29-19(26)22-15(16(24)27-13(3)4)10-9-14(23)11-21-8;1-12(2)26-15(23)14(10-9-13(22)11-20-8)21-17(25)28-19(6,7)27-16(24)18(3,4)5;3*1-11(2)25-15(22)14(9-8-13(21)10-19-7)20-17(24)27-12(3)26-16(23)18(4,5)6;1-11(2)26-14(21)13(8-7-12(20)9-18-6)19-16(23)25-10-24-15(22)17(3,4)5;1-10(2)15(21)25-12(5)26-17(23)19-14(16(22)24-11(3)4)8-7-13(20)9-18-6;1-7-24-14(21)13(9-8-12(20)10-18-6)19-16(23)26-11(2)25-15(22)17(3,4)5;1-10(2)14(20)23-9-24-16(22)18-13(15(21)25-11(3)4)7-6-12(19)8-17-5;2*1-6-23-15(21)13(8-7-12(19)9-17-5)18-16(22)25-11(4)24-14(20)10(2)3;1-9(23-13(21)15(2,3)4)24-14(22)17-11(12(19)20)7-6-10(18)8-16-5;1-8(2)13(20)22-9(3)23-14(21)16-11(12(18)19)6-5-10(17)7-15-4/h7-11,14-15,18,20H,6,12-13H2,1-5H3;11-13,15,17H,8-10H2,1-7H3;11-12,14H,8-10H2,1-7H3;3*10-12,14H,7-9H2,1-6H3;9,11,13H,6-8,10H2,1-5H3;9-12,14H,6-8H2,1-5H3;10-11,13H,6-9H2,1-5H3;8,10-11,13H,5-7,9H2,1-4H3;2*9-11,13H,5-8H2,1-4H3;8-9,11H,5-7H2,1-4H3,(H-,17,19,20,22);7-9,11H,4-6H2,1-3H3,(H-,16,18,19,21)/p+14/t18-,20?;15-,17?;14-;12-,14+;2*12-,14-;13-;12?,14-;;13-;11?,13-;;2*9?,11-/m00010000.00.00/s1
InChIKeyIKXBMYZSJPOYHY-KESMFBJBSA-A
MW5275.84 g/mol
LogP12.94
Rot. Bonds131

About [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium

[(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium (PubChem CID 158729388) has the molecular formula C244H382N28O98+14 and a molecular weight of 5275.84 g/mol. Its IUPAC name is [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium.

Molecular Properties

Compound Name[(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium
PubChem CID158729388
Molecular FormulaC244H382N28O98+14
Molecular Weight5275.84 g/mol
Exact Mass5272.57
IUPAC Name[(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium
SMILESC=[N+]=CC(=O)CCC(NC(=O)OC(C)OC(=O)C(C)(C)C)C(=O)OCC.C=[N+]=CC(=O)CCC(NC(=O)OC(C)OC(=O)C(C)C)C(=O)OCC.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)(C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)(C)C)C(=O)O.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)O.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)OCC.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(OC(=O)C(C)(C)C)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(OC(=O)C(C)(C)C)c1ccccc1)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OCOC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OCOC(=O)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C
InChIInChI=1S/C23H30N2O7.C20H32N2O7.C19H30N2O7.3C18H28N2O7.3C17H26N2O7.3C16H24N2O7.C15H22N2O7.C14H20N2O7/c1-15(2)30-19(27)18(13-12-17(26)14-24-6)25-22(29)32-20(16-10-8-7-9-11-16)31-21(28)23(3,4)5;1-12(2)17(28-18(25)20(5,6)7)29-19(26)22-15(16(24)27-13(3)4)10-9-14(23)11-21-8;1-12(2)26-15(23)14(10-9-13(22)11-20-8)21-17(25)28-19(6,7)27-16(24)18(3,4)5;3*1-11(2)25-15(22)14(9-8-13(21)10-19-7)20-17(24)27-12(3)26-16(23)18(4,5)6;1-11(2)26-14(21)13(8-7-12(20)9-18-6)19-16(23)25-10-24-15(22)17(3,4)5;1-10(2)15(21)25-12(5)26-17(23)19-14(16(22)24-11(3)4)8-7-13(20)9-18-6;1-7-24-14(21)13(9-8-12(20)10-18-6)19-16(23)26-11(2)25-15(22)17(3,4)5;1-10(2)14(20)23-9-24-16(22)18-13(15(21)25-11(3)4)7-6-12(19)8-17-5;2*1-6-23-15(21)13(8-7-12(19)9-17-5)18-16(22)25-11(4)24-14(20)10(2)3;1-9(23-13(21)15(2,3)4)24-14(22)17-11(12(19)20)7-6-10(18)8-16-5;1-8(2)13(20)22-9(3)23-14(21)16-11(12(18)19)6-5-10(17)7-15-4/h7-11,14-15,18,20H,6,12-13H2,1-5H3;11-13,15,17H,8-10H2,1-7H3;11-12,14H,8-10H2,1-7H3;3*10-12,14H,7-9H2,1-6H3;9,11,13H,6-8,10H2,1-5H3;9-12,14H,6-8H2,1-5H3;10-11,13H,6-9H2,1-5H3;8,10-11,13H,5-7,9H2,1-4H3;2*9-11,13H,5-8H2,1-4H3;8-9,11H,5-7H2,1-4H3,(H-,17,19,20,22);7-9,11H,4-6H2,1-3H3,(H-,16,18,19,21)/p+14/t18-,20?;15-,17?;14-;12-,14+;2*12-,14-;13-;12?,14-;;13-;11?,13-;;2*9?,11-/m00010000.00.00/s1
InChIKeyIKXBMYZSJPOYHY-KESMFBJBSA-A
XLogP12.94
TPSA1731.40 Ų
H-Bond Donors16
H-Bond Acceptors96
Rotatable Bonds131
Heavy Atoms370
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005275.84
LogP ≤ 512.94
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1096

Analyze [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium with MolForge

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Related Compounds

[(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium
CID 160639893
[(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium
CID 158963356
[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;methane;propan-2-yl (2S)-6-diazo-2-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-5-oxohexanoate
CID 158244124
[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium
CID 158729392
[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium
CID 158729393
methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium
CID 157460926
propan-2-yl (2S)-6-diazo-2-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-5-oxohexanoate
CID 137033614
imino-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium
CID 145243982
[(5S)-5-carboxy-5-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;ethyl (2S)-6-diazo-2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]-5-oxohexanoate;methane;methylidene-[(5S)-5-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium
CID 158785162
(2R)-2-(acetyloxymethoxycarbonylamino)-3-(acetyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(benzoyloxymethoxycarbonylamino)-3-(benzoyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(cyclohexanecarbonyloxymethoxycarbonylamino)-3-(cyclohexanecarbonyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-3-(2,2-dimethylpropanoyloxymethoxycarbonylsulfanyl)propanoic acid;(2R)-2-(2-methylpropanoyloxymethoxycarbonylamino)-3-(2-methylpropanoyloxymethoxycarbonylsulfanyl)propanoic acid
CID 157432691
bis(2,2-dimethylpropanoyloxymethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 11677249
[(5S)-5-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium
CID 161297068

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium?
The IUPAC name of [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium (CID 158729388) is [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium.
What is the SMILES notation for [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium?
The canonical SMILES for [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium is C=[N+]=CC(=O)CCC(NC(=O)OC(C)OC(=O)C(C)(C)C)C(=O)OCC.C=[N+]=CC(=O)CCC(NC(=O)OC(C)OC(=O)C(C)C)C(=O)OCC.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)(C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)(C)C)C(=O)O.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)O.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(C)OC(=O)C(C)C)C(=O)OCC.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(OC(=O)C(C)(C)C)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OC(OC(=O)C(C)(C)C)c1ccccc1)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OCOC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)OCOC(=O)C(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C.C=[N+]=CC(=O)CC[C@H](NC(=O)O[C@H](C)OC(=O)C(C)(C)C)C(=O)OC(C)C.
What is the InChIKey of [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium?
The InChIKey is IKXBMYZSJPOYHY-KESMFBJBSA-A. The full InChI is InChI=1S/C23H30N2O7.C20H32N2O7.C19H30N2O7.3C18H28N2O7.3C17H26N2O7.3C16H24N2O7.C15H22N2O7.C14H20N2O7/c1-15(2)30-19(27)18(13-12-17(26)14-24-6)25-22(29)32-20(16-10-8-7-9-11-16)31-21(28)23(3,4)5;1-12(2)17(28-18(25)20(5,6)7)29-19(26)22-15(16(24)27-13(3)4)10-9-14(23)11-21-8;1-12(2)26-15(23)14(10-9-13(22)11-20-8)21-17(25)28-19(6,7)27-16(24)18(3,4)5;3*1-11(2)25-15(22)14(9-8-13(21)10-19-7)20-17(24)27-12(3)26-16(23)18(4,5)6;1-11(2)26-14(21)13(8-7-12(20)9-18-6)19-16(23)25-10-24-15(22)17(3,4)5;1-10(2)15(21)25-12(5)26-17(23)19-14(16(22)24-11(3)4)8-7-13(20)9-18-6;1-7-24-14(21)13(9-8-12(20)10-18-6)19-16(23)26-11(2)25-15(22)17(3,4)5;1-10(2)14(20)23-9-24-16(22)18-13(15(21)25-11(3)4)7-6-12(19)8-17-5;2*1-6-23-15(21)13(8-7-12(19)9-17-5)18-16(22)25-11(4)24-14(20)10(2)3;1-9(23-13(21)15(2,3)4)24-14(22)17-11(12(19)20)7-6-10(18)8-16-5;1-8(2)13(20)22-9(3)23-14(21)16-11(12(18)19)6-5-10(17)7-15-4/h7-11,14-15,18,20H,6,12-13H2,1-5H3;11-13,15,17H,8-10H2,1-7H3;11-12,14H,8-10H2,1-7H3;3*10-12,14H,7-9H2,1-6H3;9,11,13H,6-8,10H2,1-5H3;9-12,14H,6-8H2,1-5H3;10-11,13H,6-9H2,1-5H3;8,10-11,13H,5-7,9H2,1-4H3;2*9-11,13H,5-8H2,1-4H3;8-9,11H,5-7H2,1-4H3,(H-,17,19,20,22);7-9,11H,4-6H2,1-3H3,(H-,16,18,19,21)/p+14/t18-,20?;15-,17?;14-;12-,14+;2*12-,14-;13-;12?,14-;;13-;11?,13-;;2*9?,11-/m00010000.00.00/s1.
What are the key properties of [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium?
[(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium has a molecular weight of 5275.84 g/mol, XLogP of 12.94, 131 rotatable bonds, 16 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-carboxy-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;[(5S)-5-carboxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2-oxopentylidene]-methylideneazanium;bis([(5S)-5-[[(1S)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium);[(5S)-5-[[(1R)-1-(2,2-dimethylpropanoyloxy)ethoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]-6-ethoxy-2,6-dioxohexylidene]-methylideneazanium;[(5S)-5-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[1-(2,2-dimethylpropanoyloxy)-2-methylpropoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[[2,2-dimethylpropanoyloxy(phenyl)methoxy]carbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-5-[2-(2,2-dimethylpropanoyloxy)propan-2-yloxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]-methylideneazanium;[(5S)-6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;[6-ethoxy-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxohexylidene]-methylideneazanium;methylidene-[(5S)-5-[1-(2-methylpropanoyloxy)ethoxycarbonylamino]-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium;methylidene-[(5S)-5-(2-methylpropanoyloxymethoxycarbonylamino)-2,6-dioxo-6-propan-2-yloxyhexylidene]azanium is sourced from PubChem (CID 158729388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).