N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride

C28H35Cl2N5O8S — CID 68769814

About N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride

N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 68769814) has the molecular formula C28H35Cl2N5O8S and a molecular weight of 672.59 g/mol. Its IUPAC name is N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
• PubChem CID: 68769814
• Molecular Formula: C28H35Cl2N5O8S
• Molecular Weight: 672.59 g/mol
• Exact Mass: 671.16
• IUPAC Name: N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
• SMILES: C[C@@H](O)[C@H](N)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1.Cl
• InChI: InChI=1S/C28H34ClN5O8S.ClH/c1-17(35)25(30)26(38)31-11-3-2-4-23(36)34(27(39)21-9-10-22(29)43-21)15-20-14-33(28(40)42-20)19-7-5-18(6-8-19)32-12-13-41-16-24(32)37;/h5-10,17,20,25,35H,2-4,11-16,30H2,1H3,(H,31,38);1H/t17-,20-,25+;/m1./s1
• InChIKey: PBELFOOUJPVSQI-UDTBANCASA-N
• XLogP: 2.18
• TPSA: 171.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	672.59
LogP ≤ 5	2.18
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,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?

The IUPAC name of N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride (CID 68769814) is N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?

The canonical SMILES for N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride is C[C@@H](O)[C@H](N)C(=O)NCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1.Cl.

What is the InChIKey of N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?

The InChIKey is PBELFOOUJPVSQI-UDTBANCASA-N. The full InChI is InChI=1S/C28H34ClN5O8S.ClH/c1-17(35)25(30)26(38)31-11-3-2-4-23(36)34(27(39)21-9-10-22(29)43-21)15-20-14-33(28(40)42-20)19-7-5-18(6-8-19)32-12-13-41-16-24(32)37;/h5-10,17,20,25,35H,2-4,11-16,30H2,1H3,(H,31,38);1H/t17-,20-,25+;/m1./s1.

What are the key properties of N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?

N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 672.59 g/mol, XLogP of 2.18, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]pentanoyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 68769814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).