SCS-C004594

atroviridetide

Pathway: Amino acids and Peptides Superclass: Oligopeptides Class: Cyclic peptides

Chemical Structure

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Download: SDF SMILES

Source Information

Trichoderma atroviride G20-12 (NA)

Original source name: Trichoderma atroviride|Trichoderma atroviride G20-12

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Hypocreales Family Hypocreaceae Genus Trichoderma Species Trichoderma atroviride

South China Sea

DOI: 10.1080/10286020.2012.682256 · Journal of Asian Natural Products Research

Drug-likeness (Lipinski Ro5)

Molecular Weight

413.5 Da

Threshold ≤ 500

ALogP

0.35

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C20H35N3O6

Molecular Weight:

413.5150 Da

SMILES:

CCC(C)C1NC(=O)C(CCCNC(=O)CCC(=O)OC(C)C(C)O)N(C)C1=O

InChIKey:

                        RFBQJBJKMWJKTH-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C20H35N3O6/c1-6-12(2)18-20(28)23(5)15(19(27)22-18)8-7-11-21-16(25)9-10-17(26)29-14(4)13(3)24/h12-15,18,24H,6-11H2,1-5H3,(H,21,25)(H,22,27)

Calculated Properties

ALogP:

0.347 lipophilicity

TPSA:

125.04 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.8000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004594

NPClassifier Pathway:

Amino acids and Peptides

NPClassifier Superclass:

Oligopeptides

NPClassifier Class:

Cyclic peptides

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD22266

Biological Activity Data

No bioactivity data available for this compound.

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