(1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

C26H36F3N5O6 — CID 166466410

About (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide

(1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (PubChem CID 166466410) has the molecular formula C26H36F3N5O6 and a molecular weight of 571.60 g/mol. Its IUPAC name is (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.

Molecular Properties

• Compound Name: (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
• PubChem CID: 166466410
• Molecular Formula: C26H36F3N5O6
• Molecular Weight: 571.60 g/mol
• Exact Mass: 571.26
• IUPAC Name: (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
• SMILES: CC1(C)NC(=O)[C@H](C[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)[C@@H]2C=C[C@H]3C2)C(N)=O)O1
• InChI: InChI=1S/C26H36F3N5O6/c1-24(2,3)18(32-23(39)26(27,28)29)22(38)34-10-13-11-6-7-12(8-11)16(13)17(34)21(37)31-14(19(30)35)9-15-20(36)33-25(4,5)40-15/h6-7,11-18H,8-10H2,1-5H3,(H2,30,35)(H,31,37)(H,32,39)(H,33,36)/t11-,12+,13-,14+,15+,16+,17+,18-/m1/s1
• InChIKey: LRRDTXWECWVBFR-LDFUESSSSA-N
• XLogP: 0.34
• TPSA: 159.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.60
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?

The IUPAC name of (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide (CID 166466410) is (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide.

What is the SMILES notation for (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?

The canonical SMILES for (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is CC1(C)NC(=O)[C@H](C[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)[C@@H]2C=C[C@H]3C2)C(N)=O)O1.

What is the InChIKey of (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?

The InChIKey is LRRDTXWECWVBFR-LDFUESSSSA-N. The full InChI is InChI=1S/C26H36F3N5O6/c1-24(2,3)18(32-23(39)26(27,28)29)22(38)34-10-13-11-6-7-12(8-11)16(13)17(34)21(37)31-14(19(30)35)9-15-20(36)33-25(4,5)40-15/h6-7,11-18H,8-10H2,1-5H3,(H2,30,35)(H,31,37)(H,32,39)(H,33,36)/t11-,12+,13-,14+,15+,16+,17+,18-/m1/s1.

What are the key properties of (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide?

(1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide has a molecular weight of 571.60 g/mol, XLogP of 0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3S,6R,7S)-N-[(2S)-1-amino-3-[(5S)-2,2-dimethyl-4-oxo-1,3-oxazolidin-5-yl]-1-oxopropan-2-yl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide is sourced from PubChem (CID 166466410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).