SCS-C005309

streptomyceamide C

Pathway: Amino acids and Peptides

Chemical Structure

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Source Information

Streptomyces antibioticus (NA)

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

Xinhui Yamen Bridge

DOI: 10.1080/14786419.2016.1201668 · Natural Product Research

Drug-likeness (Lipinski Ro5)

Molecular Weight

310.3 Da

Threshold ≤ 500

ALogP

0.00

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C14H18N2O6

Molecular Weight:

310.3060 Da

SMILES:

CCOC(=O)[C@@H](NC(=O)c1cccc(NC=O)c1O)[C@@H](C)O

InChIKey:

                        RXPVGQMHHCYAKH-KCJUWKMLSA-N
                        
                    

InChI:

InChI=1S/C14H18N2O6/c1-3-22-14(21)11(8(2)18)16-13(20)9-5-4-6-10(12(9)19)15-7-17/h4-8,11,18-19H,3H2,1-2H3,(H,15,17)(H,16,20)/t8-,11+/m1/s1

Calculated Properties

ALogP:

0.003 lipophilicity

TPSA:

124.96 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.3571 fraction sp³ carbon

Database Information

Compound ID:

SCS-C005309

NPClassifier Pathway:

Amino acids and Peptides

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD27196

Biological Activity Data

No bioactivity data available for this compound.

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