Chemical Compound

(4S,5R,6S)-3-[[[6-[2-[4-(2-Amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-yl]methyl]-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid 4-nitrobenzyl ester

(4S,5R,6S)-3-[[[6-[2-[4-(2-Amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-yl]methyl]-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid 4-nitrobenzyl ester chemical structure
Primary Record

(4S,5R,6S)-3-[[[6-[2-[4-(2-Amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-yl]methyl]-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid 4-nitrobenzyl ester

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
102303831
SMILES
C[C@H]1[C@@H]2[C@@H](C(=O)N2C(=C1CN3C4=CC=CC5=C(C=CC(=C54)S3(=O)=O)CC[N+]67CC[N+](CC6)(CC7)CC(=O)N)C(=O)OCC8=CC=C(C=C8)[N+](=O)[O-])C(C)O
Canonical SMILES
CC(O)[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(CN3c4cccc5c(CC[N+]67CC[N+](CC(N)=O)(CC6)CC7)ccc(c45)S3(=O)=O)[C@@H](C)[C@H]12

Names & Synonyms

  • (4S,5R,6S)-3-[[[6-[2-[4-(2-Amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-yl]methyl]-4-methyl-6-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid 4-nitrobenzyl ester