[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-(1H-imidazol-5-yl)propanoate;dihydrochloride

C27H29Cl3N6O8S — CID 140561018

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-(1H-imidazol-5-yl)propanoate;dihydrochloride

[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-(1H-imidazol-5-yl)propanoate;dihydrochloride (PubChem CID 140561018) has the molecular formula C27H29Cl3N6O8S and a molecular weight of 703.99 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-(1H-imidazol-5-yl)propanoate;dihydrochloride.

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-(1H-imidazol-5-yl)propanoate;dihydrochloride
• PubChem CID: 140561018
• Molecular Formula: C27H29Cl3N6O8S
• Molecular Weight: 703.99 g/mol
• Exact Mass: 702.08
• 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-(1H-imidazol-5-yl)propanoate;dihydrochloride
• SMILES: Cl.Cl.N[C@@H](Cc1cnc[nH]1)C(=O)OCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C27H27ClN6O8S.2ClH/c28-22-6-5-21(43-22)25(37)34(24(36)14-41-26(38)20(29)9-16-10-30-15-31-16)12-19-11-33(27(39)42-19)18-3-1-17(2-4-18)32-7-8-40-13-23(32)35;;/h1-6,10,15,19-20H,7-9,11-14,29H2,(H,30,31);2*1H/t19-,20+;;/m1../s1
• InChIKey: YOCVTLZIJQRAKR-AAYDIPMQSA-N
• XLogP: 2.44
• TPSA: 177.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.99
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-(1H-imidazol-5-yl)propanoate;dihydrochloride?

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-(1H-imidazol-5-yl)propanoate;dihydrochloride (CID 140561018) 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-(1H-imidazol-5-yl)propanoate;dihydrochloride.

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-(1H-imidazol-5-yl)propanoate;dihydrochloride?

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-(1H-imidazol-5-yl)propanoate;dihydrochloride is Cl.Cl.N[C@@H](Cc1cnc[nH]1)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-(1H-imidazol-5-yl)propanoate;dihydrochloride?

The InChIKey is YOCVTLZIJQRAKR-AAYDIPMQSA-N. The full InChI is InChI=1S/C27H27ClN6O8S.2ClH/c28-22-6-5-21(43-22)25(37)34(24(36)14-41-26(38)20(29)9-16-10-30-15-31-16)12-19-11-33(27(39)42-19)18-3-1-17(2-4-18)32-7-8-40-13-23(32)35;;/h1-6,10,15,19-20H,7-9,11-14,29H2,(H,30,31);2*1H/t19-,20+;;/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-(1H-imidazol-5-yl)propanoate;dihydrochloride?

[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-(1H-imidazol-5-yl)propanoate;dihydrochloride has a molecular weight of 703.99 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 11 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-(1H-imidazol-5-yl)propanoate;dihydrochloride is sourced from PubChem (CID 140561018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).