[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate

C26H29ClN4O8S — CID 24771464

About [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate

[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate (PubChem CID 24771464) has the molecular formula C26H29ClN4O8S and a molecular weight of 593.06 g/mol. Its IUPAC name is [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate.

Molecular Properties

• Compound Name: [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate
• PubChem CID: 24771464
• Molecular Formula: C26H29ClN4O8S
• Molecular Weight: 593.06 g/mol
• Exact Mass: 592.14
• IUPAC Name: [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate
• SMILES: CC(C)[C@H](N)C(=O)OCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C26H29ClN4O8S/c1-15(2)23(28)25(35)38-14-22(33)31(24(34)19-7-8-20(27)40-19)12-18-11-30(26(36)39-18)17-5-3-16(4-6-17)29-9-10-37-13-21(29)32/h3-8,15,18,23H,9-14,28H2,1-2H3/t18-,23+/m1/s1
• InChIKey: ISBLKJJNACUUAX-JPYJTQIMSA-N
• XLogP: 2.29
• TPSA: 148.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.06
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate?

The IUPAC name of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate (CID 24771464) is [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate.

What is the SMILES notation for [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate?

The canonical SMILES for [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)OCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1.

What is the InChIKey of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate?

The InChIKey is ISBLKJJNACUUAX-JPYJTQIMSA-N. The full InChI is InChI=1S/C26H29ClN4O8S/c1-15(2)23(28)25(35)38-14-22(33)31(24(34)19-7-8-20(27)40-19)12-18-11-30(26(36)39-18)17-5-3-16(4-6-17)29-9-10-37-13-21(29)32/h3-8,15,18,23H,9-14,28H2,1-2H3/t18-,23+/m1/s1.

What are the key properties of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate?

[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate has a molecular weight of 593.06 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 24771464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).