[1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid

C26H33N5O7 — CID 138470484

About [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid

[1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 138470484) has the molecular formula C26H33N5O7 and a molecular weight of 527.58 g/mol. Its IUPAC name is [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
• PubChem CID: 138470484
• Molecular Formula: C26H33N5O7
• Molecular Weight: 527.58 g/mol
• Exact Mass: 527.24
• IUPAC Name: [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
• SMILES: CC(C)CC(NC(=O)O)C(=O)NC(C)C(=O)C(=O)NCC(=O)NC(Cc1ccc2ccccc2c1)C(N)=O
• InChI: InChI=1S/C26H33N5O7/c1-14(2)10-20(31-26(37)38)24(35)29-15(3)22(33)25(36)28-13-21(32)30-19(23(27)34)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,31H,10,12-13H2,1-3H3,(H2,27,34)(H,28,36)(H,29,35)(H,30,32)(H,37,38)
• InChIKey: DQOLXDPLHHZIHO-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 196.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.58
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The IUPAC name of [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (CID 138470484) is [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid.

What is the SMILES notation for [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The canonical SMILES for [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid is CC(C)CC(NC(=O)O)C(=O)NC(C)C(=O)C(=O)NCC(=O)NC(Cc1ccc2ccccc2c1)C(N)=O.

What is the InChIKey of [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

The InChIKey is DQOLXDPLHHZIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O7/c1-14(2)10-20(31-26(37)38)24(35)29-15(3)22(33)25(36)28-13-21(32)30-19(23(27)34)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,31H,10,12-13H2,1-3H3,(H2,27,34)(H,28,36)(H,29,35)(H,30,32)(H,37,38).

What are the key properties of [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid?

[1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 527.58 g/mol, XLogP of 0.22, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[4-[[2-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 138470484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).