5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid

C19H34N6O11 — CID 123758302

About 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid

5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid (PubChem CID 123758302) has the molecular formula C19H34N6O11 and a molecular weight of 522.51 g/mol. Its IUPAC name is 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid
• PubChem CID: 123758302
• Molecular Formula: C19H34N6O11
• Molecular Weight: 522.51 g/mol
• Exact Mass: 522.23
• IUPAC Name: 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid
• SMILES: CC(O)C(NC(=O)COCCOCCNC(=O)C(CO)NC(=O)NC(CCC(=O)O)C(N)=O)C(N)=O
• InChI: InChI=1S/C19H34N6O11/c1-10(27)15(17(21)32)25-13(28)9-36-7-6-35-5-4-22-18(33)12(8-26)24-19(34)23-11(16(20)31)2-3-14(29)30/h10-12,15,26-27H,2-9H2,1H3,(H2,20,31)(H2,21,32)(H,22,33)(H,25,28)(H,29,30)(H2,23,24,34)
• InChIKey: BTDRWBYFFAZXHD-UHFFFAOYSA-N
• XLogP: -5.13
• TPSA: 281.73 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.51
LogP ≤ 5	-5.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid?

The IUPAC name of 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid (CID 123758302) is 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid?

The canonical SMILES for 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid is CC(O)C(NC(=O)COCCOCCNC(=O)C(CO)NC(=O)NC(CCC(=O)O)C(N)=O)C(N)=O.

What is the InChIKey of 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid?

The InChIKey is BTDRWBYFFAZXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O11/c1-10(27)15(17(21)32)25-13(28)9-36-7-6-35-5-4-22-18(33)12(8-26)24-19(34)23-11(16(20)31)2-3-14(29)30/h10-12,15,26-27H,2-9H2,1H3,(H2,20,31)(H2,21,32)(H,22,33)(H,25,28)(H,29,30)(H2,23,24,34).

What are the key properties of 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid?

5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid has a molecular weight of 522.51 g/mol, XLogP of -5.13, 19 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-[[1-[2-[2-[2-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-2-oxoethoxy]ethoxy]ethylamino]-3-hydroxy-1-oxopropan-2-yl]carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 123758302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).