2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

C209H230N22O66S — CID 157256553

IUPAC2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4ccc[nH]4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4ccco4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4cccs4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4nccn4C)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccc[nH]4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccc[nH]4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccccn4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccco4)c3)C[C@H]12
InChIInChI=1S/C27H29N3O8.C26H30N4O8.3C26H29N3O8.2C26H28N2O9.C26H28N2O8S/c1-15(31)21-19-13-18(22(30(19)23(21)32)24(33)36-14-37-25(34)27(2,3)4)16-8-7-9-17(12-16)38-26(35)29-20-10-5-6-11-28-20;1-14(31)19-18-12-17(20(30(18)21(19)32)22(33)36-13-37-23(34)26(2,3)4)15-6-8-16(9-7-15)38-25(35)28-24-27-10-11-29(24)5;2*1-14(30)20-18-12-17(15-7-5-8-16(11-15)37-25(34)28-19-9-6-10-27-19)21(29(18)22(20)31)23(32)35-13-36-24(33)26(2,3)4;1-14(30)20-18-12-17(15-7-9-16(10-8-15)37-25(34)28-19-6-5-11-27-19)21(29(18)22(20)31)23(32)35-13-36-24(33)26(2,3)4;1-14(29)20-18-12-17(15-7-5-8-16(11-15)37-25(33)27-19-9-6-10-34-19)21(28(18)22(20)30)23(31)35-13-36-24(32)26(2,3)4;1-14(29)20-18-12-17(15-7-9-16(10-8-15)37-25(33)27-19-6-5-11-34-19)21(28(18)22(20)30)23(31)35-13-36-24(32)26(2,3)4;1-14(29)20-18-12-17(15-7-9-16(10-8-15)36-25(33)27-19-6-5-11-37-19)21(28(18)22(20)30)23(31)34-13-35-24(32)26(2,3)4/h5-12,15,19,21,31H,13-14H2,1-4H3,(H,28,29,35);6-11,14,18-19,31H,12-13H2,1-5H3,(H,27,28,35);3*5-11,14,18,20,27,30H,12-13H2,1-4H3,(H,28,34);3*5-11,14,18,20,29H,12-13H2,1-4H3,(H,27,33)/t15-,19-,21-;14-,18-,19-;6*14-,18-,20-/m11111111/s1
InChIKeyAWYOOAHGDKDVMP-XSKDONNASA-N
MW4138.29 g/mol
LogP25.04
Rot. Bonds56

About 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (PubChem CID 157256553) has the molecular formula C209H230N22O66S and a molecular weight of 4138.29 g/mol. Its IUPAC name is 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
PubChem CID157256553
Molecular FormulaC209H230N22O66S
Molecular Weight4138.29 g/mol
Exact Mass4135.50
IUPAC Name2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4ccc[nH]4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4ccco4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4cccs4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4nccn4C)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccc[nH]4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccc[nH]4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccccn4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccco4)c3)C[C@H]12
InChIInChI=1S/C27H29N3O8.C26H30N4O8.3C26H29N3O8.2C26H28N2O9.C26H28N2O8S/c1-15(31)21-19-13-18(22(30(19)23(21)32)24(33)36-14-37-25(34)27(2,3)4)16-8-7-9-17(12-16)38-26(35)29-20-10-5-6-11-28-20;1-14(31)19-18-12-17(20(30(18)21(19)32)22(33)36-13-37-23(34)26(2,3)4)15-6-8-16(9-7-15)38-25(35)28-24-27-10-11-29(24)5;2*1-14(30)20-18-12-17(15-7-5-8-16(11-15)37-25(34)28-19-9-6-10-27-19)21(29(18)22(20)31)23(32)35-13-36-24(33)26(2,3)4;1-14(30)20-18-12-17(15-7-9-16(10-8-15)37-25(34)28-19-6-5-11-27-19)21(29(18)22(20)31)23(32)35-13-36-24(33)26(2,3)4;1-14(29)20-18-12-17(15-7-5-8-16(11-15)37-25(33)27-19-9-6-10-34-19)21(28(18)22(20)30)23(31)35-13-36-24(32)26(2,3)4;1-14(29)20-18-12-17(15-7-9-16(10-8-15)37-25(33)27-19-6-5-11-34-19)21(28(18)22(20)30)23(31)35-13-36-24(32)26(2,3)4;1-14(29)20-18-12-17(15-7-9-16(10-8-15)36-25(33)27-19-6-5-11-37-19)21(28(18)22(20)30)23(31)34-13-35-24(32)26(2,3)4/h5-12,15,19,21,31H,13-14H2,1-4H3,(H,28,29,35);6-11,14,18-19,31H,12-13H2,1-5H3,(H,27,28,35);3*5-11,14,18,20,27,30H,12-13H2,1-4H3,(H,28,34);3*5-11,14,18,20,29H,12-13H2,1-4H3,(H,27,33)/t15-,19-,21-;14-,18-,19-;6*14-,18-,20-/m11111111/s1
InChIKeyAWYOOAHGDKDVMP-XSKDONNASA-N
XLogP25.04
TPSA1156.12 Ų
H-Bond Donors19
H-Bond Acceptors70
Rotatable Bonds56
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004138.29
LogP ≤ 525.04
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1070

Analyze 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The IUPAC name of 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (CID 157256553) is 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate.
What is the SMILES notation for 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The canonical SMILES for 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4ccc[nH]4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4ccco4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4cccs4)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3ccc(OC(=O)Nc4nccn4C)cc3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccc[nH]4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccc[nH]4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccccn4)c3)C[C@H]12.C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cccc(OC(=O)Nc4ccco4)c3)C[C@H]12.
What is the InChIKey of 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
The InChIKey is AWYOOAHGDKDVMP-XSKDONNASA-N. The full InChI is InChI=1S/C27H29N3O8.C26H30N4O8.3C26H29N3O8.2C26H28N2O9.C26H28N2O8S/c1-15(31)21-19-13-18(22(30(19)23(21)32)24(33)36-14-37-25(34)27(2,3)4)16-8-7-9-17(12-16)38-26(35)29-20-10-5-6-11-28-20;1-14(31)19-18-12-17(20(30(18)21(19)32)22(33)36-13-37-23(34)26(2,3)4)15-6-8-16(9-7-15)38-25(35)28-24-27-10-11-29(24)5;2*1-14(30)20-18-12-17(15-7-5-8-16(11-15)37-25(34)28-19-9-6-10-27-19)21(29(18)22(20)31)23(32)35-13-36-24(33)26(2,3)4;1-14(30)20-18-12-17(15-7-9-16(10-8-15)37-25(34)28-19-6-5-11-27-19)21(29(18)22(20)31)23(32)35-13-36-24(33)26(2,3)4;1-14(29)20-18-12-17(15-7-5-8-16(11-15)37-25(33)27-19-9-6-10-34-19)21(28(18)22(20)30)23(31)35-13-36-24(32)26(2,3)4;1-14(29)20-18-12-17(15-7-9-16(10-8-15)37-25(33)27-19-6-5-11-34-19)21(28(18)22(20)30)23(31)35-13-36-24(32)26(2,3)4;1-14(29)20-18-12-17(15-7-9-16(10-8-15)36-25(33)27-19-6-5-11-37-19)21(28(18)22(20)30)23(31)34-13-35-24(32)26(2,3)4/h5-12,15,19,21,31H,13-14H2,1-4H3,(H,28,29,35);6-11,14,18-19,31H,12-13H2,1-5H3,(H,27,28,35);3*5-11,14,18,20,27,30H,12-13H2,1-4H3,(H,28,34);3*5-11,14,18,20,29H,12-13H2,1-4H3,(H,27,33)/t15-,19-,21-;14-,18-,19-;6*14-,18-,20-/m11111111/s1.
What are the key properties of 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate?
2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate has a molecular weight of 4138.29 g/mol, XLogP of 25.04, 56 rotatable bonds, 19 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[3-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-(furan-2-ylcarbamoyloxy)phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[4-[(1-methylimidazol-2-yl)carbamoyloxy]phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(pyridin-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;bis(2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[3-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate);2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(1H-pyrrol-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;2,2-dimethylpropanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[4-(thiophen-2-ylcarbamoyloxy)phenyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate is sourced from PubChem (CID 157256553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).