[1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate

C35H57N5O6 — CID 78319578

About [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate

[1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate (PubChem CID 78319578) has the molecular formula C35H57N5O6 and a molecular weight of 643.87 g/mol. Its IUPAC name is [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate.

Molecular Properties

• Compound Name: [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate
• PubChem CID: 78319578
• Molecular Formula: C35H57N5O6
• Molecular Weight: 643.87 g/mol
• Exact Mass: 643.43
• IUPAC Name: [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate
• SMILES: CCC(C)C(OC(=O)C(C(C)CC)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(N)=O)C(C)CC
• InChI: InChI=1S/C35H57N5O6/c1-10-22(4)28(39(9)34(44)30(24(6)12-3)46-35(45)29(38(7)8)23(5)11-2)33(43)40-20-16-19-27(40)32(42)37-26(31(36)41)21-25-17-14-13-15-18-25/h13-15,17-18,22-24,26-30H,10-12,16,19-21H2,1-9H3,(H2,36,41)(H,37,42)
• InChIKey: RJSFPTVCPZTERP-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 142.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.87
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate?

The IUPAC name of [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate (CID 78319578) is [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate.

What is the SMILES notation for [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate?

The canonical SMILES for [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate is CCC(C)C(OC(=O)C(C(C)CC)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(N)=O)C(C)CC.

What is the InChIKey of [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate?

The InChIKey is RJSFPTVCPZTERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H57N5O6/c1-10-22(4)28(39(9)34(44)30(24(6)12-3)46-35(45)29(38(7)8)23(5)11-2)33(43)40-20-16-19-27(40)32(42)37-26(31(36)41)21-25-17-14-13-15-18-25/h13-15,17-18,22-24,26-30H,10-12,16,19-21H2,1-9H3,(H2,36,41)(H,37,42).

What are the key properties of [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate?

[1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate has a molecular weight of 643.87 g/mol, XLogP of 3.00, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[1-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] 2-(dimethylamino)-3-methylpentanoate is sourced from PubChem (CID 78319578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).