N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide

C33H53N7O8 — CID 71343719

About N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide

N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide (PubChem CID 71343719) has the molecular formula C33H53N7O8 and a molecular weight of 675.83 g/mol. Its IUPAC name is N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 71343719
• Molecular Formula: C33H53N7O8
• Molecular Weight: 675.83 g/mol
• Exact Mass: 675.40
• IUPAC Name: N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide
• SMILES: CC(C)CC(N)C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(CC(C)C)C(N)=O)C(C)O
• InChI: InChI=1S/C33H53N7O8/c1-17(2)14-23(34)30(45)39-27(20(6)41)33(48)40-13-7-8-26(40)32(47)38-25(16-21-9-11-22(42)12-10-21)31(46)36-19(5)29(44)37-24(28(35)43)15-18(3)4/h9-12,17-20,23-27,41-42H,7-8,13-16,34H2,1-6H3,(H2,35,43)(H,36,46)(H,37,44)(H,38,47)(H,39,45)
• InChIKey: NUMUSCKMDNEJTC-UHFFFAOYSA-N
• XLogP: -0.83
• TPSA: 246.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.83
LogP ≤ 5	-0.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide (CID 71343719) is N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide is CC(C)CC(N)C(=O)NC(C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(CC(C)C)C(N)=O)C(C)O.

What is the InChIKey of N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide?

The InChIKey is NUMUSCKMDNEJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H53N7O8/c1-17(2)14-23(34)30(45)39-27(20(6)41)33(48)40-13-7-8-26(40)32(47)38-25(16-21-9-11-22(42)12-10-21)31(46)36-19(5)29(44)37-24(28(35)43)15-18(3)4/h9-12,17-20,23-27,41-42H,7-8,13-16,34H2,1-6H3,(H2,35,43)(H,36,46)(H,37,44)(H,38,47)(H,39,45).

What are the key properties of N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide?

N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 675.83 g/mol, XLogP of -0.83, 17 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 71343719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).