Cephalosporate C-2
2-[[(5-amino-5-carboxypentanoyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Also Known As: Cephalosporate C-2|Cephalosporate C2|5-Amino-5-carboxyvaleramido-(5-formyl-4-carboxy-2H,3H,6H-tetrahydro-1,3-thiazinyl)glycine|2-[[(5-amino-5-carboxypentanoyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid|2H-1,3-Thiazine-2-acetic acid, alpha-((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|2-[1-[(5-amino-6-hydroxy-6-oxohexanoyl)amino]-2-hydroxy-2-oxoethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid|6-{[Carboxy(4-carboxy-5-formyl-3,6-dihydro-2H-1,3-thiazin-2-yl)methyl]imino}-6-hydroxynorleucine
| Molecular Formula | C14H19N3O8S |
|---|---|
| Molecular Weight | 389.0893 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 389.0893 |
| Monoisotopic Mass | 389.0893 |
| Heavy Atoms | 26 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 56136-29-9 |
|---|---|
| SMILES | C1C(=C(NC(S1)C(C(=O)O)NC(=O)CCCC(C(=O)O)N)C(=O)O)C=O |
| InChIKey | GURXGLANODQSQH-UHFFFAOYSA-N |
Product Overview
Cephalosporate C-2 (CAS 56136-29-9), with molecular formula C14H19N3O8S and molecular weight 389.0893 g/mol. IUPAC: 2-[[(5-amino-5-carboxypentanoyl)amino]-carboxymethyl]-5-formyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid.