CAS
169280-11-9 Purity
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169280-11-9 Purity
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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
Catalog Number
ACM169285987
Category
Other Products
Molecular Weight
445.5535
Molecular Formula
C18H27N3O6S2
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Specification
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
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
Density
1.47g/cm³
Exact Mass
445.13400
H-Bond Acceptor
9
H-Bond Donor
4
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