Chemical Compound

(4R,5S,6S)-3-[[(3S,5S)-1-[(2S,3R)-2-[(2S,3R)-5-Carboxy-4-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-3-methyl-2H-pyrrol-2-yl]-3-hydroxy-1-oxobutyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

CAS Registry Number 1199797-41-5
(4R,5S,6S)-3-[[(3S,5S)-1-[(2S,3R)-2-[(2S,3R)-5-Carboxy-4-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-3-methyl-2H-pyrrol-2-yl]-3-hydroxy-1-oxobutyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid chemical structure
Primary Record

(4R,5S,6S)-3-[[(3S,5S)-1-[(2S,3R)-2-[(2S,3R)-5-Carboxy-4-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-3-methyl-2H-pyrrol-2-yl]-3-hydroxy-1-oxobutyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

In stock
5,404 g
Purity
98.4 %
CAS
1199797-41-5

Compound Identifiers & Properties

CAS
1199797-41-5
PubChem CID
146161228
SMILES
CC1C(C(=NC1C(C(C)O)C(=O)N2CC(CC2C(=O)NC3=CC=CC(=C3)C(=O)O)SC4=C(N5C(C4C)C(C5=O)C(C)O)C(=O)O)C(=O)O)SC6CC(NC6)C(=O)NC7=CC=CC(=C7)C(=O)O
Canonical SMILES
CC(O)C(C(=O)N1CC(SC2=C(C(=O)O)N3C(=O)C(C(C)O)C3C2C)CC1C(=O)Nc1cccc(C(=O)O)c1)C1N=C(C(=O)O)C(SC2CNC(C(=O)Nc3cccc(C(=O)O)c3)C2)C1C

Names & Synonyms

  • (4R,5S,6S)-3-[[(3S,5S)-1-[(2S,3R)-2-[(2S,3R)-5-Carboxy-4-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-3-methyl-2H-pyrrol-2-yl]-3-hydroxy-1-oxobutyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid
  • 1199797-41-5