About acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 160653009) has the molecular formula C147H151BrCl5MnN11O25
and a molecular weight of 2783.98 g/mol. Its IUPAC name is acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 160653009) is acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is CC(=O)O.CC(C)(C)OC(=O)N1C(C(=O)NC2CCc3cc4c(cc3C2=O)OCc2cc(Cl)ccc2-4)C[C@H]2C[C@H]21.CC(C)(C)OC(=O)N1C(C(=O)O)C[C@H]2C[C@H]21.CC(C)(C)OC(=O)N1C(C2=Nc3ccc4cc5c(cc4c3C2)OCc2cc(Cl)ccc2-5)C[C@H]2C[C@H]21.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=NC2=C(C1)c1cc3c(cc1CC2)-c1ccc(Cl)cc1CO3.COC(=O)N[C@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(Cl)ccc1-4)C(C)C.N.O=C1c2cc3c(cc2CCC1Br)-c1ccc(Cl)cc1CO3.O=[Mn]=O.
What is the InChIKey of acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is ZLFLXBWFCILYOG-SKXRQSTJSA-N. The full InChI is InChI=1S/C31H30ClN3O4.C29H29ClN2O3.C29H27ClN2O3.C28H29ClN2O5.C17H12BrClO2.C11H17NO4.C2H4O2.Mn.H3N.2O/c1-15(2)29(34-31(37)38-3)30(36)35-26-10-17(26)11-27(35)25-12-22-21-13-28-23(9-16(21)4-7-24(22)33-25)20-6-5-19(32)8-18(20)14-39-28;2*1-29(2,3)35-28(33)32-25-10-16(25)11-26(32)24-12-21-20-13-27-22(9-15(20)4-7-23(21)31-24)19-6-5-18(30)8-17(19)14-34-27;1-28(2,3)36-27(34)31-22-10-15(22)11-23(31)26(33)30-21-7-4-14-9-20-18-6-5-17(29)8-16(18)13-35-24(20)12-19(14)25(21)32;18-15-4-1-9-6-14-12-3-2-11(19)5-10(12)8-21-16(14)7-13(9)17(15)20;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;1-2(3)4;;;;/h4-9,13,15,17,26-27,29H,10-12,14H2,1-3H3,(H,34,37);5-6,8-9,13,16,25-26H,4,7,10-12,14H2,1-3H3;4-9,13,16,25-26H,10-12,14H2,1-3H3;5-6,8-9,12,15,21-23H,4,7,10-11,13H2,1-3H3,(H,30,33);2-3,5-7,15H,1,4,8H2;6-8H,4-5H2,1-3H3,(H,13,14);1H3,(H,3,4);;1H3;;/t17-,26-,27+,29+;16-,25-,26+;16-,25-,26?;15-,21?,22-,23?;;6-,7-,8?;;;;;/m1111.1...../s1.
What are the key properties of acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?
acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 2783.98 g/mol, XLogP of 31.11, 9 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;9-bromo-3-chloro-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one;tert-butyl (1R,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate;tert-butyl (1R,5R)-3-[(3-chloro-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;dioxomanganese;methyl N-[(2S)-1-[(1R,3S,5R)-3-(17-chloro-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(1R,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 160653009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).