chempirical

Thienamycin

C11H16N2O4SCAS 59995-64-1272.32 g/mol

Open in Covalent MOL file
OHONOOHSNH2
AlcoholAlkeneAmideCarboxylic acidLactamPrimary amineSulfide

Properties

Molecular formula
C11H16N2O4S
Molar mass
272.32 g/mol
Exact mass
272.0831 Da
logP
-0.41Crippen estimate
Polar surface area
103.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
5
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
59995-64-1
SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCN)C[C@H]12
InChIKey
WKDDRNSBRWANNC-ATRFCDNQSA-N
InChI
InChI=1S/C11H16N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h5-6,8,14H,2-4,12H2,1H3,(H,16,17)/t5-,6-,8-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(2-aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-, (5R,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(2-aminoethyl)thio]-6-(1-hydroxyethyl)-7-oxo-, [5R-[5α,6α(R*)]]-
  • (5R,6S)-3-[(2-Aminoethyl)thio]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (+)-Thienamycin
  • Thienpenem

Work with Thienamycin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Imipenem64221-86-968 % similar Imipenem monohydrate74431-23-564 % similar Panipenem87726-17-853 % similar Imipenem-cilastatin mixt.92309-29-041 % similar Faropenem106560-14-941 % similar Tebipenem161715-21-539 % similar (4-Nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[2-[[[[[(4-nitrophenyl)methoxy]carbonyl]amino]methylene]amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate98367-45-439 % similar Meropenem96036-03-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-thiazolepropanoic acid134107-69-0

Elsewhere

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