N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide

C37H69N7O8 — CID 164610944

About N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide

N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide (PubChem CID 164610944) has the molecular formula C37H69N7O8 and a molecular weight of 740.00 g/mol. Its IUPAC name is N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide.

Molecular Properties

• Compound Name: N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide
• PubChem CID: 164610944
• Molecular Formula: C37H69N7O8
• Molecular Weight: 740.00 g/mol
• Exact Mass: 739.52
• IUPAC Name: N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide
• SMILES: CCCCCCCC(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](C(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)[C@@H](C)CC)C(C)C
• InChI: InChI=1S/C37H69N7O8/c1-12-14-15-16-17-18-27(46)43-36(8,9)34(51)38-20-28(47)41-30(24(5)6)33(50)44-37(10,11)35(52)39-21-29(48)42-31(25(7)13-2)32(49)40-26(22-45)19-23(3)4/h23-26,30-31,45H,12-22H2,1-11H3,(H,38,51)(H,39,52)(H,40,49)(H,41,47)(H,42,48)(H,43,46)(H,44,50)/t25-,26-,30-,31-/m0/s1
• InChIKey: SQLVZKKCOYASOT-XGFDYLOESA-N
• XLogP: 1.56
• TPSA: 223.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.00
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide?

The IUPAC name of N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide (CID 164610944) is N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide.

What is the SMILES notation for N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide?

The canonical SMILES for N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide is CCCCCCCC(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](C(=O)NC(C)(C)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)[C@@H](C)CC)C(C)C.

What is the InChIKey of N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide?

The InChIKey is SQLVZKKCOYASOT-XGFDYLOESA-N. The full InChI is InChI=1S/C37H69N7O8/c1-12-14-15-16-17-18-27(46)43-36(8,9)34(51)38-20-28(47)41-30(24(5)6)33(50)44-37(10,11)35(52)39-21-29(48)42-31(25(7)13-2)32(49)40-26(22-45)19-23(3)4/h23-26,30-31,45H,12-22H2,1-11H3,(H,38,51)(H,39,52)(H,40,49)(H,41,47)(H,42,48)(H,43,46)(H,44,50)/t25-,26-,30-,31-/m0/s1.

What are the key properties of N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide?

N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide has a molecular weight of 740.00 g/mol, XLogP of 1.56, 25 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide is sourced from PubChem (CID 164610944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).