(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide

C47H45N7O9 — CID 67314049

About (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 67314049) has the molecular formula C47H45N7O9 and a molecular weight of 851.92 g/mol. Its IUPAC name is (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 67314049
• Molecular Formula: C47H45N7O9
• Molecular Weight: 851.92 g/mol
• Exact Mass: 851.33
• IUPAC Name: (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)CN4C(=O)OC[C@@H]4c4ccccc4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C47H45N7O9/c55-41(26-53-38(28-61-46(53)59)30-9-3-1-4-10-30)51-23-7-13-36(51)43(57)49-34-19-15-32(16-20-34)40-25-48-45(63-40)33-17-21-35(22-18-33)50-44(58)37-14-8-24-52(37)42(56)27-54-39(29-62-47(54)60)31-11-5-2-6-12-31/h1-6,9-12,15-22,25,36-39H,7-8,13-14,23-24,26-29H2,(H,49,57)(H,50,58)/t36-,37-,38+,39+/m0/s1
• InChIKey: QBLZXLZQDPAGQJ-IZSXRKQISA-N
• XLogP: 6.25
• TPSA: 183.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.92
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide (CID 67314049) is (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)CN4C(=O)OC[C@@H]4c4ccccc4)cc3)o2)cc1)[C@@H]1CCCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1.

What is the InChIKey of (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is QBLZXLZQDPAGQJ-IZSXRKQISA-N. The full InChI is InChI=1S/C47H45N7O9/c55-41(26-53-38(28-61-46(53)59)30-9-3-1-4-10-30)51-23-7-13-36(51)43(57)49-34-19-15-32(16-20-34)40-25-48-45(63-40)33-17-21-35(22-18-33)50-44(58)37-14-8-24-52(37)42(56)27-54-39(29-62-47(54)60)31-11-5-2-6-12-31/h1-6,9-12,15-22,25,36-39H,7-8,13-14,23-24,26-29H2,(H,49,57)(H,50,58)/t36-,37-,38+,39+/m0/s1.

What are the key properties of (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide?

(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 851.92 g/mol, XLogP of 6.25, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67314049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).