Cas no 34279-51-1 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-,(6R,7S)-)
![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-,(6R,7S)- structure](https://ossimg.kuujia.com/scimg/34500/34279-51-1x500.png)
34279-51-1 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-,(6R,7S)-
CAS No:34279-51-1
MF:C16H22N4O9S
MW:446.432282924652
CID:305988
PubChem ID:441084
Update Time:2025-04-19
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-,(6R,7S)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-,(6R,7S)-
- sodium,(6R,7S)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 5-thia-1-<wbr>
- 842-A
- A 16886-I
- Antibiotic 842 A
- Cephamycin C sodium
- Cephemimycin
- WS 3442-C
- ANTIBIOTIC A 16886B
- SCHEMBL585001
- A-16886-I
- Antibiotic WS 3442C
- 5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(((AMINOCARBONYL)OXY)METHYL)-7-(((5R)-5-AMINO-5-CARBOXY-1-OXOPENTYL)AMINO)-7-METHOXY-8-OXO-, (6R,7S)-
- J17.435A
- DTXSID10955835
- A 16886B
- 7-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3-{[hydroxy(imino)methoxy]methyl}-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- antibiotic WS-3442C
- cephamycin C
- C06566
- 7-[(5-amino-5-carboxypentanoyl)amino]-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- XA69811MWE
- WS-3442-C
- antibiotic 842A
- 3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(5R)-5-amino-5-carboxypentanamido]-3,4-didehydrocepham-4-carboxylic acid
- P-6621
- 34279-51-1
- (6R,7S)-3-[[(aminocarbonyl)oxy]methyl]-7alpha-[[(R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(5-amino-5-carboxyvaleramido)-3-(hydroxymethyl)-7-methoxy-8-oxo-, carbamate (ester), monosodium salt
- A16886B
- A-16886B
- CHEBI:3543
- antibiotic A-16886B
- antibiotic A-16886I
- Q27106127
- UNII-XA69811MWE
-
- Inchi： 1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/t8-,14-,16+/m1/s1
- InChI Key： LXWBXEWUSAABOA-VXSYNFHWSA-N
- SMILES： S1CC(COC(N)=O)=C(C(=O)O)N2C([C@]([C@@H]12)(NC(CCC[C@H](C(=O)O)N)=O)OC)=O
Computed Properties
- Exact Mass: 468.09283
- Monoisotopic Mass: 446.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 30
- Rotatable Bond Count: 11
- Complexity: 802
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _4.3
- Topological Polar Surface Area: 237A^2
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.656
- PSA: 214.41
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-[[(aminocarbonyl)oxy]methyl]-7-[[(5R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-,(6R,7S)- Related Literature
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1. Cleavage of the aminoadipoly side chain of cephamycin C to the (6R, 7S)-7-amino-7-methoxy derivativeMasao Shiozaki,Noboru Ishida,Kimio Iino,Tetsuo Hiraoka J. Chem. Soc. Chem. Commun. 1978 517
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Refaat B. Hamed,J. Ruben Gomez-Castellanos,Luc Henry,Christian Ducho,Michael A. McDonough,Christopher J. Schofield Nat. Prod. Rep. 2013 30 21
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Marc G. Chevrette,Karina Gutiérrez-García,Nelly Selem-Mojica,César Aguilar-Martínez,Alan Ya?ez-Olvera,Hilda E. Ramos-Aboites,Paul A. Hoskisson,Francisco Barona-Gómez Nat. Prod. Rep. 2020 37 566
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J. Stefan Rokem,Anna Eliasson Lantz,Jens Nielsen Nat. Prod. Rep. 2007 24 1262
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5. Deacylation of amides: removal of the acyl side-chain from cephamycin derivativesHarold E. Applegate,Christopher M. Cimarusti,William A. Slusarchyk J. Chem. Soc. Chem. Commun. 1980 293
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