About [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid
[3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid (PubChem CID 172917256) has the molecular formula C108H144N34O34S8
and a molecular weight of 2719.08 g/mol. Its IUPAC name is [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid.
Frequently Asked Questions
What is the IUPAC name of [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid?
The IUPAC name of [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid (CID 172917256) is [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid.
What is the SMILES notation for [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid?
The canonical SMILES for [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid is CC1(C)C(CC(=O)/C(=N\OCCOc2ccc3c(c2)CN(/C(N)=N/CCCN)C3)c2csc(N)n2)C(=O)N1OS(=O)(=O)O.NCCC/N=C(\N)N1CCc2cc(OCCO/N=C(\C(=O)CC3C(=O)N(S(=O)(=O)O)C3CN3CCOC3=O)c3csc(N)n3)ccc2C1.NCCC/N=C(\N)N1Cc2ccc(OCCO/N=C(\C(=O)CC3C(=O)N(S(=O)(=O)O)C3CN3CCOC3=O)c3csc(N)n3)cc2C1.[H]/N=C(/N1CCc2cc(OCCO/N=C(\C(=O)CC3C(=O)N(OS(=O)(=O)O)C3(C)C)c3csc(N)n3)ccc2C1)N1CCC(CN)C1.
What is the InChIKey of [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid?
The InChIKey is KWJXNPDJVREHKK-UAPDBKJFSA-N. The full InChI is InChI=1S/C28H37N9O9S2.C28H38N8O8S2.C27H35N9O9S2.C25H34N8O8S2/c29-5-1-6-32-26(30)35-7-4-17-12-19(3-2-18(17)14-35)44-10-11-46-34-24(21-16-47-27(31)33-21)23(38)13-20-22(15-36-8-9-45-28(36)40)37(25(20)39)48(41,42)43;1-28(2)21(25(38)36(28)44-46(39,40)41)12-23(37)24(22-16-45-26(30)32-22)33-43-10-9-42-20-4-3-19-15-35(8-6-18(19)11-20)27(31)34-7-5-17(13-29)14-34;28-4-1-5-31-25(29)35-12-16-2-3-18(10-17(16)13-35)43-8-9-45-33-23(20-15-46-26(30)32-20)22(37)11-19-21(14-34-6-7-44-27(34)39)36(24(19)38)47(40,41)42;1-25(2)18(22(35)33(25)41-43(36,37)38)11-20(34)21(19-14-42-24(28)30-19)31-40-9-8-39-17-5-4-15-12-32(13-16(15)10-17)23(27)29-7-3-6-26/h2-3,12,16,20,22H,1,4-11,13-15,29H2,(H2,30,32)(H2,31,33)(H,41,42,43);3-4,11,16-17,21,31H,5-10,12-15,29H2,1-2H3,(H2,30,32)(H,39,40,41);2-3,10,15,19,21H,1,4-9,11-14,28H2,(H2,29,31)(H2,30,32)(H,40,41,42);4-5,10,14,18H,3,6-9,11-13,26H2,1-2H3,(H2,27,29)(H2,28,30)(H,36,37,38)/b34-24-;31-27+,33-24-;33-23-;31-21-.
What are the key properties of [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid?
[3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid has a molecular weight of 2719.08 g/mol, XLogP of 0.60, 56 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3Z)-3-[2-[[2-[3-(aminomethyl)pyrrolidine-1-carboximidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;[3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2,2-dimethyl-4-oxoazetidin-1-yl] hydrogen sulfate;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-1,3-dihydroisoindol-5-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid;3-[(3Z)-3-[2-[[2-[N'-(3-aminopropyl)carbamimidoyl]-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethoxyimino]-3-(2-amino-1,3-thiazol-4-yl)-2-oxopropyl]-2-oxo-4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]azetidine-1-sulfonic acid is sourced from PubChem (CID 172917256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).