2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid

C54H50N4O11 — CID 24739611

About 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid

2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid (PubChem CID 24739611) has the molecular formula C54H50N4O11 and a molecular weight of 931.01 g/mol. Its IUPAC name is 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid.

Molecular Properties

• Compound Name: 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid
• PubChem CID: 24739611
• Molecular Formula: C54H50N4O11
• Molecular Weight: 931.01 g/mol
• Exact Mass: 930.35
• IUPAC Name: 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid
• SMILES: Cc1cc2c(C(=O)c3ccc(N)c(C(=O)O)c3)cccn2c1-c1ccc(OCCOCCOCCOCCOc2ccc(-c3c(C)c(C(=O)c4ccc(N)c(C(=O)O)c4)c4ccccn34)cc2)cc1
• InChI: InChI=1S/C54H50N4O11/c1-33-30-47-41(51(59)37-12-18-44(55)42(31-37)53(61)62)6-5-21-58(47)49(33)35-8-14-39(15-9-35)68-28-26-66-24-22-65-23-25-67-27-29-69-40-16-10-36(11-17-40)50-34(2)48(46-7-3-4-20-57(46)50)52(60)38-13-19-45(56)43(32-38)54(63)64/h3-21,30-32H,22-29,55-56H2,1-2H3,(H,61,62)(H,63,64)
• InChIKey: LOHGTVGMVQZJPJ-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 215.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	931.01
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid?

The IUPAC name of 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid (CID 24739611) is 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid.

What is the SMILES notation for 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid?

The canonical SMILES for 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid is Cc1cc2c(C(=O)c3ccc(N)c(C(=O)O)c3)cccn2c1-c1ccc(OCCOCCOCCOCCOc2ccc(-c3c(C)c(C(=O)c4ccc(N)c(C(=O)O)c4)c4ccccn34)cc2)cc1.

What is the InChIKey of 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid?

The InChIKey is LOHGTVGMVQZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50N4O11/c1-33-30-47-41(51(59)37-12-18-44(55)42(31-37)53(61)62)6-5-21-58(47)49(33)35-8-14-39(15-9-35)68-28-26-66-24-22-65-23-25-67-27-29-69-40-16-10-36(11-17-40)50-34(2)48(46-7-3-4-20-57(46)50)52(60)38-13-19-45(56)43(32-38)54(63)64/h3-21,30-32H,22-29,55-56H2,1-2H3,(H,61,62)(H,63,64).

What are the key properties of 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid?

2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid has a molecular weight of 931.01 g/mol, XLogP of 8.67, 22 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[3-[4-[2-[2-[2-[2-[4-[1-(4-amino-3-carboxybenzoyl)-2-methylindolizin-3-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-methylindolizine-8-carbonyl]benzoic acid is sourced from PubChem (CID 24739611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).