Products 13129-80-1
CAS 13129-80-1 is the registry number for Stercobilin hydrochloride (mixture of isomers). Offered by: MedChemExpress. Available pack sizes: Get quote.
3-[2-[[3-(2-carboxyethyl)-5-[[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid;hydrochloride (CAS 13129-80-1) is a chemical compound with the molecular formula C33H47ClN4O6 and a molecular weight of 631.2 g/mol. IUPAC name: 3-[2-[[3-(2-carboxyethyl)-5-[[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid;hydrochloride. InChIKey: KZELCVDLUQMWGN-CKEKZPQSSA-N.
| Molecular formula | C33H47ClN4O6 |
|---|---|
| Molecular weight | 631.2 g/mol |
| IUPAC name | 3-[2-[[3-(2-carboxyethyl)-5-[[(2S,3R,4R)-4-ethyl-3-methyl-5-oxopyrrolidin-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(2S,3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-yl]methyl]-4-methylpyrrol-3-yl]propanoic acid;hydrochloride |
| InChIKey | KZELCVDLUQMWGN-CKEKZPQSSA-N |
| SMILES | CC[C@@H]1[C@H](C(=O)N[C@H]1CC2=NC(=CC3=C(C(=C(N3)C[C@H]4[C@@H]([C@H](C(=O)N4)CC)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C.Cl |
Computed by PubChem (NCBI)
Synonyms:
Stercobilin (hydrochloride), orb2665390