3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

C29H51N7O10 — CID 23354938

IUPAC3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
SMILESCC(C)CC(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)C(C)C
InChIInChI=1S/C29H51N7O10/c1-13(2)10-19(26(42)32-16(7)29(45)46)35-28(44)23(15(5)6)36-25(41)18(8-9-21(31)37)33-27(43)20(11-14(3)4)34-24(40)17(30)12-22(38)39/h13-20,23H,8-12,30H2,1-7H3,(H2,31,37)(H,32,42)(H,33,43)(H,34,40)(H,35,44)(H,36,41)(H,38,39)(H,45,46)
InChIKeyWKURDMHEZTYDCH-UHFFFAOYSA-N
MW657.77 g/mol
LogP-1.67
Rot. Bonds21

About 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 23354938) has the molecular formula C29H51N7O10 and a molecular weight of 657.77 g/mol. Its IUPAC name is 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
PubChem CID23354938
Molecular FormulaC29H51N7O10
Molecular Weight657.77 g/mol
Exact Mass657.37
IUPAC Name3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
SMILESCC(C)CC(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)C(C)C
InChIInChI=1S/C29H51N7O10/c1-13(2)10-19(26(42)32-16(7)29(45)46)35-28(44)23(15(5)6)36-25(41)18(8-9-21(31)37)33-27(43)20(11-14(3)4)34-24(40)17(30)12-22(38)39/h13-20,23H,8-12,30H2,1-7H3,(H2,31,37)(H,32,42)(H,33,43)(H,34,40)(H,35,44)(H,36,41)(H,38,39)(H,45,46)
InChIKeyWKURDMHEZTYDCH-UHFFFAOYSA-N
XLogP-1.67
TPSA289.21 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.77
LogP ≤ 5-1.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-amino-4-[[1-[[5-amino-1-(1-carboxyethylamino)-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 14853610
2-[[2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 22654863
2-[[5-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 22659787
4-[(2-amino-4-methylpentanoyl)amino]-5-[[1-(1-carboxyethylamino)-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 22704813
3-amino-4-[[1-[[5-amino-1-[(1-carboxy-2-hydroxyethyl)amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 18254221
4-[[2-[(2-amino-3-carboxypropanoyl)amino]-4-methylpentanoyl]amino]-5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 18250596
5-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 18301997
2-[[5-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 18484484
4-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 22704928
3-amino-4-[[5-amino-1-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18248899
5-amino-2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18219731
5-amino-2-[[2-[[2-[(2-amino-3-carboxypropanoyl)amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 18253095

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid (CID 23354938) is 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid is CC(C)CC(NC(=O)C(N)CC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)C(C)C.
What is the InChIKey of 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is WKURDMHEZTYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51N7O10/c1-13(2)10-19(26(42)32-16(7)29(45)46)35-28(44)23(15(5)6)36-25(41)18(8-9-21(31)37)33-27(43)20(11-14(3)4)34-24(40)17(30)12-22(38)39/h13-20,23H,8-12,30H2,1-7H3,(H2,31,37)(H,32,42)(H,33,43)(H,34,40)(H,35,44)(H,36,41)(H,38,39)(H,45,46).
What are the key properties of 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 657.77 g/mol, XLogP of -1.67, 21 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[1-[[5-amino-1-[[1-[[1-(1-carboxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 23354938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).