Products 114977-84-3

CAS 114977-84-3 appears in our catalog under these names: Ampicillin Impurity 24,Ampicillin Trimer, Ampicillin Impurity 16(Ampicillin EP Impurity Q). Offered by: Chemat Brand, Hubei YoungXin. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Structural formula: {0} (CAS {1})

(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS 114977-84-3) is a chemical compound with the molecular formula C48H57N9O12S3 and a molecular weight of 1048.2 g/mol. IUPAC name: (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. InChIKey: CXYFUYQPFUMJDV-SFUXYWTESA-N.

Identity
Molecular formulaC48H57N9O12S3
Molecular weight1048.2 g/mol
IUPAC name(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKeyCXYFUYQPFUMJDV-SFUXYWTESA-N
SMILESCC1([C@@H](N[C@H](S1)[C@@H](C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)N[C@H](C4=CC=CC=C4)C(=O)N[C@H]5[C@@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)O)NC(=O)[C@@H](C7=CC=CC=C7)N)C(=O)O)C

Computed by PubChem (NCBI)