1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[(3S,5S)-5-[(1E)-3-[(methylsulfonyl)amino]-1-propen-1-yl]-3-pyrrolidinyl]thio]-7-oxo-,(4R,5S,6S)-

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CAS
169285-98-7
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Catalog Number

ACM169285987

Product Name

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylicacid,6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[(3S,5S)-5-[(1E)-3-[(methylsulfonyl)amino]-1-propen-1-yl]-3-pyrrolidinyl]thio]-7-oxo-,(4R,5S,6S)-

CAS

169285-98-7

Category

Heterocyclic Organic Compound

Synonyms

DA-1131, Da 1131, AC1O5WWN, (4R,5S)-6-(1-hydroxyethyl)-3-[(3S,5S)-5-[(E)-3-(methanesulfonamido)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 169285-98-7, 2-(3-methanesulfonylamino-1-propenyl)pyrrolidin-4-ylthiol-6-(1-hydroxyethyl)-1-methyl-1-carbapen-2-em-3-carboxylic acid

IUPAC Name

(4R,5S)-6-(1-hydroxyethyl)-3-[(3S,5S)-5-[(E)-3-(methanesulfonamido)prop-1-enyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Molecular Weight

445.5535

Molecular Formula

C₁₈H₂₇N₃O₆S₂

Canonical SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C=CCNS(=O)(=O)C)C(=O)O)C(C)O

InChI Key

UXCCOLVNQUBDAJ-FGQVXFQSSA-N

Boiling Point

672.6ºC at 760mmHg

Flash Point

360.6ºC