(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate



Compound number:
MolPort-035-757-834
CAS number: 119478-56-7
IUPAC:
(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate
IUPAC traditional:
merrem
SMILES:
O.O.O.C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O |r,c:19|
InChI key:
CTUAQTBUVLKNDJ-OBZXMJSBSA-N
Molecular formula:
C17H31N3O8S
Molecular weight: 437.51
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-035-757-834
CAS number: 119478-56-7

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003808779
MFCD08600005
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid,3-[[5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, trihydrate, [4R-[3(3S*,5S*),4a,5b,6b(R*)]]-
(4R,5S,6S)-3-[[(3S,5S)-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, trihydrate
Meropenem trihydrate
MEROPENEMTRIHYDRATE

InChI
InChI: 1S/C17H25N3O5S.3H2O/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;;;/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);3*1H2/t7-,8-,9+,10+,11-,12-;;;/m1.../s1
InChI key: CTUAQTBUVLKNDJ-OBZXMJSBSA-N

Calculated Properties
Molecular formula: C17H31N3O8S
Molecular weight: 437.51

Other

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