N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C30H33ClFN7O7S — CID 25159900

About N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 25159900) has the molecular formula C30H33ClFN7O7S and a molecular weight of 690.15 g/mol. Its IUPAC name is N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 25159900
• Molecular Formula: C30H33ClFN7O7S
• Molecular Weight: 690.15 g/mol
• Exact Mass: 689.18
• IUPAC Name: N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: N[C@@H](Cc1cnc[nH]1)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C30H33ClFN7O7S/c31-25-7-6-24(47-25)29(43)39(26(40)3-1-2-8-35-28(42)22(33)11-18-13-34-17-36-18)15-20-14-38(30(44)46-20)23-5-4-19(12-21(23)32)37-9-10-45-16-27(37)41/h4-7,12-13,17,20,22H,1-3,8-11,14-16,33H2,(H,34,36)(H,35,42)/t20-,22+/m1/s1
• InChIKey: IIXKTKHXHHNLKZ-IRLDBZIGSA-N
• XLogP: 2.48
• TPSA: 180.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.15
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 25159900) is N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is N[C@@H](Cc1cnc[nH]1)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1.

What is the InChIKey of N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is IIXKTKHXHHNLKZ-IRLDBZIGSA-N. The full InChI is InChI=1S/C30H33ClFN7O7S/c31-25-7-6-24(47-25)29(43)39(26(40)3-1-2-8-35-28(42)22(33)11-18-13-34-17-36-18)15-20-14-38(30(44)46-20)23-5-4-19(12-21(23)32)37-9-10-45-16-27(37)41/h4-7,12-13,17,20,22H,1-3,8-11,14-16,33H2,(H,34,36)(H,35,42)/t20-,22+/m1/s1.

What are the key properties of N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 690.15 g/mol, XLogP of 2.48, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25159900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).