(2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide

About (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide

(2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide (PubChem CID 23985624) has the molecular formula C28H33N3O6 and a molecular weight of 507.59 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide.

Molecular Properties

Compound Name	(2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide
PubChem CID	23985624
Molecular Formula	C28H33N3O6
Molecular Weight	507.59 g/mol
Exact Mass	507.24
IUPAC Name	(2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide
SMILES	C[C@H](O)C(=O)Nc1ccc2c(c1)[C@](O)([C@@H](C)/C=C/CC(=O)N1CCC[C@H]1CO)C(=O)N2c1ccccc1
InChI	InChI=1S/C28H33N3O6/c1-18(8-6-12-25(34)30-15-7-11-22(30)17-32)28(37)23-16-20(29-26(35)19(2)33)13-14-24(23)31(27(28)36)21-9-4-3-5-10-21/h3-6,8-10,13-14,16,18-19,22,32-33,37H,7,11-12,15,17H2,1-2H3,(H,29,35)/b8-6+/t18-,19-,22-,28+/m0/s1
InChIKey	YEJDUTBHQOOUGX-YDFVTJHDSA-N
XLogP	2.44
TPSA	130.41 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.59
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide?

The IUPAC name of (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide (CID 23985624) is (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide.

What is the SMILES notation for (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide?

The canonical SMILES for (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide is C[C@H](O)C(=O)Nc1ccc2c(c1)[C@](O)([C@@H](C)/C=C/CC(=O)N1CCC[C@H]1CO)C(=O)N2c1ccccc1.

What is the InChIKey of (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide?

The InChIKey is YEJDUTBHQOOUGX-YDFVTJHDSA-N. The full InChI is InChI=1S/C28H33N3O6/c1-18(8-6-12-25(34)30-15-7-11-22(30)17-32)28(37)23-16-20(29-26(35)19(2)33)13-14-24(23)31(27(28)36)21-9-4-3-5-10-21/h3-6,8-10,13-14,16,18-19,22,32-33,37H,7,11-12,15,17H2,1-2H3,(H,29,35)/b8-6+/t18-,19-,22-,28+/m0/s1.

What are the key properties of (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide?

(2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide has a molecular weight of 507.59 g/mol, XLogP of 2.44, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-hydroxy-N-[(3R)-3-hydroxy-3-[(E,2S)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohex-3-en-2-yl]-2-oxo-1-phenylindol-5-yl]propanamide is sourced from PubChem (CID 23985624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).