tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate

C33H37F4N5O7 — CID 118956904

About tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate

tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate (PubChem CID 118956904) has the molecular formula C33H37F4N5O7 and a molecular weight of 691.68 g/mol. Its IUPAC name is tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate
• PubChem CID: 118956904
• Molecular Formula: C33H37F4N5O7
• Molecular Weight: 691.68 g/mol
• Exact Mass: 691.26
• IUPAC Name: tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate
• SMILES: C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)N4CCCN(C(=O)OC(C)(C)C)C4)ccc32)C1=O)C(F)(F)F
• InChI: InChI=1S/C33H37F4N5O7/c1-20(33(35,36)37)41(17-21-6-8-23(34)9-7-21)26(43)18-42-27(44)32(49-30(42)47)13-12-22-16-24(10-11-25(22)32)38-28(45)39-14-5-15-40(19-39)29(46)48-31(2,3)4/h6-11,16,20H,5,12-15,17-19H2,1-4H3,(H,38,45)/t20-,32+/m0/s1
• InChIKey: ZUUMOZMXACCKIT-MQFAKOPTSA-N
• XLogP: 5.36
• TPSA: 128.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.68
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate?

The IUPAC name of tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate (CID 118956904) is tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate?

The canonical SMILES for tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate is C[C@H](N(Cc1ccc(F)cc1)C(=O)CN1C(=O)O[C@@]2(CCc3cc(NC(=O)N4CCCN(C(=O)OC(C)(C)C)C4)ccc32)C1=O)C(F)(F)F.

What is the InChIKey of tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate?

The InChIKey is ZUUMOZMXACCKIT-MQFAKOPTSA-N. The full InChI is InChI=1S/C33H37F4N5O7/c1-20(33(35,36)37)41(17-21-6-8-23(34)9-7-21)26(43)18-42-27(44)32(49-30(42)47)13-12-22-16-24(10-11-25(22)32)38-28(45)39-14-5-15-40(19-39)29(46)48-31(2,3)4/h6-11,16,20H,5,12-15,17-19H2,1-4H3,(H,38,45)/t20-,32+/m0/s1.

What are the key properties of tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate?

tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate has a molecular weight of 691.68 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[(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]carbamoyl]-1,3-diazinane-1-carboxylate is sourced from PubChem (CID 118956904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).