N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide

C40H58F4N6O6 — CID 143138598

About N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide

N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide (PubChem CID 143138598) has the molecular formula C40H58F4N6O6 and a molecular weight of 794.93 g/mol. Its IUPAC name is N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide
• PubChem CID: 143138598
• Molecular Formula: C40H58F4N6O6
• Molecular Weight: 794.93 g/mol
• Exact Mass: 794.44
• IUPAC Name: N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide
• SMILES: CCNC(=O)C(NC(=O)[C@H](CC)NCC(CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)C(CC(C)C)NC(=O)c1c(F)c(F)c(O)c(F)c1F)C(C)C
• InChI: InChI=1S/C40H58F4N6O6/c1-9-26(36(52)50-34(23(7)8)40(56)45-10-2)46-20-25(18-21(3)4)47-37(53)27(17-16-24-14-12-11-13-15-24)48-38(54)28(19-22(5)6)49-39(55)29-30(41)32(43)35(51)33(44)31(29)42/h11-15,21-23,25-28,34,46,51H,9-10,16-20H2,1-8H3,(H,45,56)(H,47,53)(H,48,54)(H,49,55)(H,50,52)/t25?,26-,27-,28?,34?/m0/s1
• InChIKey: LEAHPVDWDVKQMM-SAMZFVAMSA-N
• XLogP: 4.39
• TPSA: 177.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.93
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide?

The IUPAC name of N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide (CID 143138598) is N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide.

What is the SMILES notation for N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide?

The canonical SMILES for N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide is CCNC(=O)C(NC(=O)[C@H](CC)NCC(CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(=O)C(CC(C)C)NC(=O)c1c(F)c(F)c(O)c(F)c1F)C(C)C.

What is the InChIKey of N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide?

The InChIKey is LEAHPVDWDVKQMM-SAMZFVAMSA-N. The full InChI is InChI=1S/C40H58F4N6O6/c1-9-26(36(52)50-34(23(7)8)40(56)45-10-2)46-20-25(18-21(3)4)47-37(53)27(17-16-24-14-12-11-13-15-24)48-38(54)28(19-22(5)6)49-39(55)29-30(41)32(43)35(51)33(44)31(29)42/h11-15,21-23,25-28,34,46,51H,9-10,16-20H2,1-8H3,(H,45,56)(H,47,53)(H,48,54)(H,49,55)(H,50,52)/t25?,26-,27-,28?,34?/m0/s1.

What are the key properties of N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide?

N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide has a molecular weight of 794.93 g/mol, XLogP of 4.39, 22 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(2S)-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3,5,6-tetrafluoro-4-hydroxybenzamide is sourced from PubChem (CID 143138598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).