[1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid

C28H28F4N4O7 — CID 118956803

About [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid

[1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid (PubChem CID 118956803) has the molecular formula C28H28F4N4O7 and a molecular weight of 608.55 g/mol. Its IUPAC name is [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 118956803
• Molecular Formula: C28H28F4N4O7
• Molecular Weight: 608.55 g/mol
• Exact Mass: 608.19
• IUPAC Name: [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)C(C)(C)NC(=O)O)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C28H28F4N4O7/c1-15(28(30,31)32)35(13-16-4-6-18(29)7-5-16)21(37)14-36-23(39)27(43-25(36)42)11-10-17-12-19(8-9-20(17)27)33-22(38)26(2,3)34-24(40)41/h4-9,12,15,34H,10-11,13-14H2,1-3H3,(H,33,38)(H,40,41)/t15-,27+/m0/s1
• InChIKey: DHMQIJRQHGQVEJ-KUNJGFBQSA-N
• XLogP: 3.91
• TPSA: 145.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	608.55
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid (CID 118956803) is [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)C(C)(C)NC(=O)O)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid?

The InChIKey is DHMQIJRQHGQVEJ-KUNJGFBQSA-N. The full InChI is InChI=1S/C28H28F4N4O7/c1-15(28(30,31)32)35(13-16-4-6-18(29)7-5-16)21(37)14-36-23(39)27(43-25(36)42)11-10-17-12-19(8-9-20(17)27)33-22(38)26(2,3)34-24(40)41/h4-9,12,15,34H,10-11,13-14H2,1-3H3,(H,33,38)(H,40,41)/t15-,27+/m0/s1.

What are the key properties of [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid?

[1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid has a molecular weight of 608.55 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 118956803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).