(2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid

About (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid

(2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid (PubChem CID 160569275) has the molecular formula C33H52N2O16 and a molecular weight of 732.78 g/mol. Its IUPAC name is (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid.

Molecular Properties

Compound Name	(2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid
PubChem CID	160569275
Molecular Formula	C33H52N2O16
Molecular Weight	732.78 g/mol
Exact Mass	732.33
IUPAC Name	(2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid
SMILES	CC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)CC[C@H](CC(C)=O)C(=O)O)C(=O)O)C(=O)O
InChI	InChI=1S/C33H52N2O16/c1-22(36)3-4-25(32(44)45)18-27(38)20-50-15-13-49-12-10-35-30(41)8-6-26(33(46)47)19-28(39)21-51-16-14-48-11-9-34-29(40)7-5-24(31(42)43)17-23(2)37/h24-26H,3-21H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H,44,45)(H,46,47)/t24-,25-,26-/m1/s1
InChIKey	BOZIBIKVGAZEAJ-TWJOJJKGSA-N
XLogP	0.21
TPSA	275.30 Å²
H-Bond Donors	5
H-Bond Acceptors	13
Rotatable Bonds	34
Heavy Atoms	51
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.78
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid?

The IUPAC name of (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid (CID 160569275) is (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid.

What is the SMILES notation for (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid?

The canonical SMILES for (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid is CC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)CC[C@H](CC(=O)COCCOCCNC(=O)CC[C@H](CC(C)=O)C(=O)O)C(=O)O)C(=O)O.

What is the InChIKey of (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid?

The InChIKey is BOZIBIKVGAZEAJ-TWJOJJKGSA-N. The full InChI is InChI=1S/C33H52N2O16/c1-22(36)3-4-25(32(44)45)18-27(38)20-50-15-13-49-12-10-35-30(41)8-6-26(33(46)47)19-28(39)21-51-16-14-48-11-9-34-29(40)7-5-24(31(42)43)17-23(2)37/h24-26H,3-21H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H,44,45)(H,46,47)/t24-,25-,26-/m1/s1.

What are the key properties of (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid?

(2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid has a molecular weight of 732.78 g/mol, XLogP of 0.21, 34 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[3-[2-[2-[[(4R)-4-carboxy-7-[2-[2-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]ethoxy]ethoxy]-6-oxoheptanoyl]amino]ethoxy]ethoxy]-2-oxopropyl]-5-oxohexanoic acid is sourced from PubChem (CID 160569275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).