SCS-C003353

cyclo-(L-Pro-4-OH-L-Leu)

Pathway: Amino acids and Peptides Superclass: Small peptides Class: Dipeptides

Chemical Structure

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3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.

Download: SDF SMILES

Source Information

Streptomyces sp. (bacterium)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Kitasatosporales Family Streptomycetaceae Genus Streptomyces Species NA

Lingshui

DOI: 10.3390/md13116947 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

226.3 Da

Threshold ≤ 500

ALogP

-0.36

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C11H18N2O3

Molecular Weight:

226.2760 Da

SMILES:

CC(C)(O)C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O

InChIKey:

                        CDZHWGQKWPGOPO-YUMQZZPRSA-N
                        
                    

InChI:

InChI=1S/C11H18N2O3/c1-11(2,16)6-7-10(15)13-5-3-4-8(13)9(14)12-7/h7-8,16H,3-6H2,1-2H3,(H,12,14)/t7-,8-/m0/s1

Calculated Properties

ALogP:

-0.363 lipophilicity

TPSA:

69.64 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.8182 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003353

NPClassifier Pathway:

Amino acids and Peptides

NPClassifier Superclass:

Small peptides

NPClassifier Class:

Dipeptides

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD25783

Biological Activity Data

No bioactivity data available for this compound.

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