4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

C29H51N7O11 — CID 87616147

About 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 87616147) has the molecular formula C29H51N7O11 and a molecular weight of 673.76 g/mol. Its IUPAC name is 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• PubChem CID: 87616147
• Molecular Formula: C29H51N7O11
• Molecular Weight: 673.76 g/mol
• Exact Mass: 673.36
• IUPAC Name: 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
• SMILES: CC(C)CC(NC(=O)C(N)CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)C(C)O)C(C)C
• InChI: InChI=1S/C29H51N7O11/c1-12(2)10-17(32-24(41)16(30)8-9-20(39)40)25(42)33-18(11-19(31)38)26(43)34-21(13(3)4)27(44)36-23(15(7)37)28(45)35-22(14(5)6)29(46)47/h12-18,21-23,37H,8-11,30H2,1-7H3,(H2,31,38)(H,32,41)(H,33,42)(H,34,43)(H,35,45)(H,36,44)(H,39,40)(H,46,47)
• InChIKey: NHAAVAHRRMBDEV-UHFFFAOYSA-N
• XLogP: -2.70
• TPSA: 309.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.76
LogP ≤ 5	-2.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The IUPAC name of 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid (CID 87616147) is 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.

What is the SMILES notation for 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The canonical SMILES for 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid is CC(C)CC(NC(=O)C(N)CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C(C)C)C(C)O)C(C)C.

What is the InChIKey of 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

The InChIKey is NHAAVAHRRMBDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51N7O11/c1-12(2)10-17(32-24(41)16(30)8-9-20(39)40)25(42)33-18(11-19(31)38)26(43)34-21(13(3)4)27(44)36-23(15(7)37)28(45)35-22(14(5)6)29(46)47/h12-18,21-23,37H,8-11,30H2,1-7H3,(H2,31,38)(H,32,41)(H,33,42)(H,34,43)(H,35,45)(H,36,44)(H,39,40)(H,46,47).

What are the key properties of 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid?

4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 673.76 g/mol, XLogP of -2.70, 21 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-[[1-[[4-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 87616147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).