3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

About 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (PubChem CID 102209374) has the molecular formula C25H36GeN2O6S2 and a molecular weight of 597.32 g/mol. Its IUPAC name is 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Molecular Properties

Compound Name	3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
PubChem CID	102209374
Molecular Formula	C25H36GeN2O6S2
Molecular Weight	597.32 g/mol
Exact Mass	598.12
IUPAC Name	3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SMILES	CC[Ge](CC)(CC)CCCOC(=O)C1=C(CC(=O)OC)CS[C@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12
InChI	InChI=1S/C25H36GeN2O6S2/c1-5-26(6-2,7-3)11-9-12-34-25(32)22-17(14-20(30)33-4)16-36-24-21(23(31)28(22)24)27-19(29)15-18-10-8-13-35-18/h8,10,13,21,24H,5-7,9,11-12,14-16H2,1-4H3,(H,27,29)/t21-,24-/m0/s1
InChIKey	VJRYFJXUCXHWDB-URXFXBBRSA-N
XLogP	3.95
TPSA	102.01 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	13
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.32
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The IUPAC name of 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CID 102209374) is 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

What is the SMILES notation for 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The canonical SMILES for 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is CC[Ge](CC)(CC)CCCOC(=O)C1=C(CC(=O)OC)CS[C@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12.

What is the InChIKey of 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

The InChIKey is VJRYFJXUCXHWDB-URXFXBBRSA-N. The full InChI is InChI=1S/C25H36GeN2O6S2/c1-5-26(6-2,7-3)11-9-12-34-25(32)22-17(14-20(30)33-4)16-36-24-21(23(31)28(22)24)27-19(29)15-18-10-8-13-35-18/h8,10,13,21,24H,5-7,9,11-12,14-16H2,1-4H3,(H,27,29)/t21-,24-/m0/s1.

What are the key properties of 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate?

3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate has a molecular weight of 597.32 g/mol, XLogP of 3.95, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-triethylgermylpropyl (6S,7S)-3-(2-methoxy-2-oxoethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is sourced from PubChem (CID 102209374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).