Cas no 29266-97-5 (Antibiotic LL-AB 664; N5-De-Me)
29266-97-5 structure
Product Name:Antibiotic LL-AB 664; N5-De-Me
CAS No:29266-97-5
MF:C17H28N8O8
MW:472.453022956848
CID:261665
Update Time:2024-02-29
Antibiotic LL-AB 664; N5-De-Me Chemical and Physical Properties
Names and Identifiers
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- 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[2-[(iminomethyl)amino]acetyl]methylamino]-b-D-gulopyranosyl]amino]-3,3a,5,6,7,7a-hexahydro-7-hydroxy-,(3aS,7R,7aS)-
- (3aS)-2-[[4-O-Aminocarbonyl-2-[[[(iminomethyl)amino]acetyl]methylamino]-2-deoxy-β-D-glucopyranosyl]amino]-1,3aβ,5,6,7,7aα-hexahydro-7β-hydroxy-4H-imidazo[4,5-c]pyridin-4-one
- 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[2-[(iminomethyl)amino]acetyl]methylamino]-b-D-gulopyranosy
- 4H-Imidazo[4,5-c]pyridin-4-one,2-[[2-deoxy-2-[2-(formimidoylamino)-N-methylacetamido]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-,3'-carbamate (8CI)
- 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[[(iminomethyl)ami
- 4H-Imidazo[4,5-c]pyridin-4-one,2-[[4-O-(aminocarbonyl)-2-deoxy-2-[[[(iminomethyl)amino]acetyl]methylamino]-b-D-gulopyranosyl]amino]-1,3a,5,6,7,7a-hexahydro-7-hydroxy-,(3aS,7R,7aS)- (9CI)
- CID 101967064
- Antibiotic LL-AC-541
- Antibiotic LL-AB 664; N5-De-Me
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- Inchi： 1S/C17H28N8O8/c1-25(8(28)3-20-5-18)11-12(29)13(33-16(19)31)7(4-26)32-15(11)24-17-22-9-6(27)2-21-14(30)10(9)23-17/h5-7,9-13,15,26-27,29H,2-4H2,1H3,(H2,18,20)(H2,19,31)(H,21,30)(H2,22,23,24)/t6-,7-,9-,10+,11-,12-,13-,15-/m1/s1
- InChI Key： ROKSIPBKLFPFQC-ZOUQXZSTSA-N
- SMILES： O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1NC1=N[C@@H]2C(NC[C@H]([C@H]2N1)O)=O)N(C(C/N=C/N)=O)C)O)OC(N)=O
Computed Properties
- Exact Mass: 472.203
- Monoisotopic Mass: 472.203
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 33
- Rotatable Bond Count: 8
- Complexity: 825
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 246
Antibiotic LL-AB 664; N5-De-Me Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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