4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[5-(acetylamino)-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(R*)]]- (9CI) (CAS 94040-19-4) — formula C16H23N3O7S, molecular weight 401.4; category organic chemicals.
| CAS Number | 94040-19-4 |
|---|---|
| Molecular Formula | C16H23N3O7S |
| Molecular Weight | 401.4 |
| LogP | 0.1 |
| Category | Organic Chemicals |
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[5-(acetylamino)-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(R*)]]- (9CI) is a carbon-based organic compound with CAS registry number 94040-19-4 and molecular formula C16H23N3O7S (molecular weight 401.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94040-19-4
Its molecular formula C16H23N3O7S comprises 16 C, 23 H, 3 N, 7 O, 1 S atoms.
Also known as: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[5-(acetylamino)-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(R*)]]- (9CI) · N-乙酰异青霉素 N
Category: organic chemicals
The CAS registry number of 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[5-(acetylamino)-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(R*)]]- (9CI) is 94040-19-4.
Molecular formula C16H23N3O7S, molecular weight 401.4.
It is also registered under: 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[5-(acetylamino)-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(R*)]]- (9CI), N-乙酰异青霉素 N.
Category: Organic Chemicals.
Independent reference data for 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[5-(acetylamino)-5-carboxy-1-oxopentyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(R*)]]- (9CI) (CAS 94040-19-4), compiled from public chemistry databases.
| CAS 号 | 94040-19-4 |
|---|---|
| PubChem CID | 139589062 |
| 分子式 | C16H23N3O7S |
| IUPAC 名称 | (2S,5R,6R)-6-[[(5S)-5-acetamido-5-carboxypentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Molecular Weight | 401.4 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 401.12567125 |
| Monoisotopic Mass | 401.12567125 |
| Topological Polar Surface Area | 178 |
| Heavy Atom Count | 27 |
N-acetylisopenicillin N; 94040-19-4; RefChem:162752; orb3023935; CHEBI:223135; TN10986
N-乙酰异青霉素 N · CAS 94040-19-4 · C16H23N3O7S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N-乙酰异青霉素 N