Thienamycin

CAT: 0926-AT168178-04Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-AT168178-04Size:5 mg

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CAS Number

59995-64-1

Smiles

C[C@H] ([C@@H]1[C@H]2CC (=C (N2C1=O) C (=O) O) SCCN) O

Molecular Formula

C11H16N2O4S

Molecular Weight

272.32 g/mol

Controlled

Chemical Information

(+)-Thienamycin

Thienamycin is a member of carbapenems.

CAS Number	59995-64-1
PubChem CID	441128
IUPAC Name	(5R,6S)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Formula	C11H16N2O4S
Molecular Weight	272.32
XLogP	-3
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	423

SMILES

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN)O

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

InChIKey

WKDDRNSBRWANNC-ATRFCDNQSA-N

Chemical Structure

2D Structure

CAS: 59995-64-1

CID: 441128

Formula: C11H16N2O4S

MW: 272.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.32
XLogP3	-3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	272.08307817
Monoisotopic Mass	272.08307817
Topological Polar Surface Area	129 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	423
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-474865	Thienamycin
MBS5825242	(+)-Thienamycin
T83594-01	(+) -Thienamycin
TRC-T344270-10MG	Thienamycin (>80%)
467497-01	Thienamycin-d4
TRC-T182150-500MG	Thienamycin p-Nitrobenzyl Ester with N-Methylpyrrolidinone