Cas no 56136-29-9 (2H-1,3-Thiazine-2-aceticacid, a-[(5-amino-5-carboxy-1-oxopentyl)amino]-4-carboxy-5-formyl-3,6-dihydro-,stereoisomer)
![2H-1,3-Thiazine-2-aceticacid, a-[(5-amino-5-carboxy-1-oxopentyl)amino]-4-carboxy-5-formyl-3,6-dihydro-,stereoisomer structure](https://ossimg.kuujia.com/scimg/56500/56136-29-9x500.png)
56136-29-9 structure
Product Name:2H-1,3-Thiazine-2-aceticacid, a-[(5-amino-5-carboxy-1-oxopentyl)amino]-4-carboxy-5-formyl-3,6-dihydro-,stereoisomer
CAS No:56136-29-9
MF:C14H19N3O8S
MW:389.380962610245
CID:368332
PubChem ID:171494
Update Time:2025-04-19
2H-1,3-Thiazine-2-aceticacid, a-[(5-amino-5-carboxy-1-oxopentyl)amino]-4-carboxy-5-formyl-3,6-dihydro-,stereoisomer Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,3-Thiazine-2-aceticacid, a-[(5-amino-5-carboxy-1-oxopentyl)amino]-4-carboxy-5-formyl-3,6-dihydro-,stereoisomer
- 2-[[(5-amino-5-carboxypentanoyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
- cephalosporate C-2
- 6-{[Carboxy(4-carboxy-5-formyl-3,6-dihydro-2H-1,3-thiazin-2-yl)methyl]imino}-6-hydroxynorleucine
- 2H-1,3-Thiazine-2-acetic acid, alpha-((5-amino-5-carboxy-1-oxopentyl)amino)-4-carboxy-5-formyl-3,6-dihydro-, stereoisomer
- DTXSID00971504
- Cephalosporate C2
- 56136-29-9
- 5-Amino-5-carboxyvaleramido-(5-formyl-4-carboxy-2H,3H,6H-tetrahydro-1,3-thiazinyl)glycine
-
- Inchi： 1S/C14H19N3O8S/c15-7(12(20)21)2-1-3-8(19)16-10(14(24)25)11-17-9(13(22)23)6(4-18)5-26-11/h4,7,10-11,17H,1-3,5,15H2,(H,16,19)(H,20,21)(H,22,23)(H,24,25)
- InChI Key： GURXGLANODQSQH-UHFFFAOYSA-N
- SMILES： S1CC(C=O)=C(C(=O)O)NC1C(C(=O)O)NC(CCCC(C(=O)O)N)=O
Computed Properties
- Exact Mass: 389.08937
- Monoisotopic Mass: 389.08928575g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 636
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.9
- Topological Polar Surface Area: 221?2
Experimental Properties
- PSA: 196.12
2H-1,3-Thiazine-2-aceticacid, a-[(5-amino-5-carboxy-1-oxopentyl)amino]-4-carboxy-5-formyl-3,6-dihydro-,stereoisomer Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
56136-29-9 (2H-1,3-Thiazine-2-aceticacid, a-[(5-amino-5-carboxy-1-oxopentyl)amino]-4-carboxy-5-formyl-3,6-dihydro-,stereoisomer) Related Products
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