N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide

C32H38F3N7O7 — CID 86300807

About N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide

N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 86300807) has the molecular formula C32H38F3N7O7 and a molecular weight of 689.69 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 86300807
• Molecular Formula: C32H38F3N7O7
• Molecular Weight: 689.69 g/mol
• Exact Mass: 689.28
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1nnc(-c2ccccc2)o1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CCC(N)=O)C(O)C(F)(F)F
• InChI: InChI=1S/C32H38F3N7O7/c1-17(2)24(40-29(48)31-42-41-30(49-31)20-12-8-5-9-13-20)28(47)39-22(16-19-10-6-4-7-11-19)27(46)37-18(3)26(45)38-21(14-15-23(36)43)25(44)32(33,34)35/h4-13,17-18,21-22,24-25,44H,14-16H2,1-3H3,(H2,36,43)(H,37,46)(H,38,45)(H,39,47)(H,40,48)/t18-,21?,22-,24-,25?/m0/s1
• InChIKey: RANWYSCPHUTCOJ-FWKHUILBSA-N
• XLogP: 1.40
• TPSA: 218.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.69
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 86300807) is N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is CC(C)[C@H](NC(=O)c1nnc(-c2ccccc2)o1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CCC(N)=O)C(O)C(F)(F)F.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is RANWYSCPHUTCOJ-FWKHUILBSA-N. The full InChI is InChI=1S/C32H38F3N7O7/c1-17(2)24(40-29(48)31-42-41-30(49-31)20-12-8-5-9-13-20)28(47)39-22(16-19-10-6-4-7-11-19)27(46)37-18(3)26(45)38-21(14-15-23(36)43)25(44)32(33,34)35/h4-13,17-18,21-22,24-25,44H,14-16H2,1-3H3,(H2,36,43)(H,37,46)(H,38,45)(H,39,47)(H,40,48)/t18-,21?,22-,24-,25?/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide?

N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 689.69 g/mol, XLogP of 1.40, 16 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(6-amino-1,1,1-trifluoro-2-hydroxy-6-oxohexan-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 86300807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).