Products for Research Use Only
RegisterLogin

N-Acetylisopenicillin N

CAT: 0931-TN10986-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN10986-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
94040-19-4
Target
Others
Related Pathways
Others
Bioactivity
N-Acetylisopenicillin N is a naturally occurring compound that can be found in the species Streptomyces tokunonensis sp. nov.
Smiles
C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CCC[C@H](NC(C)=O)C(O)=O)=O)C2=O)(SC1(C)C)[H]
Molecular Formula
C16H23N3O7S
Molecular Weight
401.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Acetylisopenicillin N

N-acetylisopenicillin N is a dipeptide.

CAS Number94040-19-4
PubChem CID139589062
IUPAC Name(2S,5R,6R)-6-[[(5S)-5-acetamido-5-carboxypentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC16H23N3O7S
Molecular Weight401.4
XLogP0.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity681
SMILES
CC(=O)N[C@@H](CCCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)C(=O)O
InChI
InChI=1S/C16H23N3O7S/c1-7(20)17-8(14(23)24)5-4-6-9(21)18-10-12(22)19-11(15(25)26)16(2,3)27-13(10)19/h8,10-11,13H,4-6H2,1-3H3,(H,17,20)(H,18,21)(H,23,24)(H,25,26)/t8-,10+,11-,13+/m0/s1
InChIKey
YQOJKNZHJAWIBN-UIMWLRQOSA-N
Chemical Structure
2D Structure
2D structure of N-Acetylisopenicillin N
CAS: 94040-19-4
CID: 139589062
Formula: C16H23N3O7S
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP30.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass401.12567125
Monoisotopic Mass401.12567125
Topological Polar Surface Area178 Ų
Heavy Atom Count27
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TXB-00063-01N, N, N′, N′-Tetramethylethylenediamine
TYD-01362-01N, N, N', N'-Tetramethylchloroformamidinium hexafluorophosphate
T40487N, N', N''-Triacetylchitotriose
TSH-00132-01N, N-Dimethyldecylamine N-oxide
TYD-01487N, N, N-Trimethylbenzenaminium chloride
TYD-01305-01N, N, N-Trimethylethanaminium iodide
T5066-01Nε, Nε, Nε-Trimethyllysine chloride
TXB-00241-014-Methylumbelliferyl β-D-N, N', N'', N'''-tetraacetylchitotetraoside
T20367N, N-Diethylformamide
T9300-01N,N-Diisopropyltryptamine

Alternative Products

CatalogName
HY-N14778N-Acetylisopenicillin N
OH153454-01N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
297193-01N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MGN,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
OR22662N, N, N, N, N, N-hexaethylphosphinetricarboxamide
AR-O01213-01N, N’, N’’, N’’’, N’’’’, N’’’’’-Hexaacetylchitohexaose
FH171463-01N, N, N', N', N'', N''-Hexamethoxymethylmelamine
OR9122-01N, N, N', N', N'', N''-Hexamethylmethanetriamine
sc-255378N, N, N', N'', N''-Pentamethyldiethylenetriamine
TRC-P225000-10MGN,N’,N’’,N’’’,N’’’’-Pentaacetylchitopentaose

Popular Products