[2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane

C43H74N6O9 — CID 145149678

About [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane

[2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane (PubChem CID 145149678) has the molecular formula C43H74N6O9 and a molecular weight of 819.10 g/mol. Its IUPAC name is [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane.

Molecular Properties

• Compound Name: [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane
• PubChem CID: 145149678
• Molecular Formula: C43H74N6O9
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.55
• IUPAC Name: [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane
• SMILES: CCC.CCC(C)C(NC(=O)CN(C)C(=O)CN(C)C(=O)C(C)NC(=O)COC(=O)/C(C)=C/CCC(C)C[C@@H](C)CC)C(=O)N[C@H](C)C(N)=O.Cc1ccc(O)cc1
• InChI: InChI=1S/C33H58N6O8.C7H8O.C3H8/c1-11-20(3)16-21(4)14-13-15-23(6)33(46)47-19-27(41)35-25(8)32(45)39(10)18-28(42)38(9)17-26(40)37-29(22(5)12-2)31(44)36-24(7)30(34)43;1-6-2-4-7(8)5-3-6;1-3-2/h15,20-22,24-25,29H,11-14,16-19H2,1-10H3,(H2,34,43)(H,35,41)(H,36,44)(H,37,40);2-5,8H,1H3;3H2,1-2H3/b23-15+;;/t20-,21?,22?,24+,25?,29?;;/m0../s1
• InChIKey: QWYIOXUSPVFKTI-GVMRMMNSSA-N
• XLogP: 4.39
• TPSA: 217.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	819.10
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane?

The IUPAC name of [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane (CID 145149678) is [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane.

What is the SMILES notation for [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane?

The canonical SMILES for [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane is CCC.CCC(C)C(NC(=O)CN(C)C(=O)CN(C)C(=O)C(C)NC(=O)COC(=O)/C(C)=C/CCC(C)C[C@@H](C)CC)C(=O)N[C@H](C)C(N)=O.Cc1ccc(O)cc1.

What is the InChIKey of [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane?

The InChIKey is QWYIOXUSPVFKTI-GVMRMMNSSA-N. The full InChI is InChI=1S/C33H58N6O8.C7H8O.C3H8/c1-11-20(3)16-21(4)14-13-15-23(6)33(46)47-19-27(41)35-25(8)32(45)39(10)18-28(42)38(9)17-26(40)37-29(22(5)12-2)31(44)36-24(7)30(34)43;1-6-2-4-7(8)5-3-6;1-3-2/h15,20-22,24-25,29H,11-14,16-19H2,1-10H3,(H2,34,43)(H,35,41)(H,36,44)(H,37,40);2-5,8H,1H3;3H2,1-2H3/b23-15+;;/t20-,21?,22?,24+,25?,29?;;/m0../s1.

What are the key properties of [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane?

[2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane has a molecular weight of 819.10 g/mol, XLogP of 4.39, 21 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[1-[[2-[[2-[[1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl] (E,8S)-2,6,8-trimethyldec-2-enoate;4-methylphenol;propane is sourced from PubChem (CID 145149678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).