SCS-C004066

galaxamide

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

Chemical Structure

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Download: SDF SMILES

Source Information

Galaxaura filamentosa (NA)

Kingdom NA Phylum Rhodophyta Class Florideophyceae Order Nemaliales Family Galaxauraceae Genus Galaxaura Species Galaxaura filamentosa

Xisha Islands

DOI: 10.1021/ol801799d · Organic Letters

Drug-likeness (Lipinski Ro5)

Molecular Weight

593.9 Da

Threshold ≤ 500

ALogP

3.34

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (MW) — borderline drug-like

Chemical Properties

Molecular Formula:

C32H59N5O5

Molecular Weight:

593.8540 Da

SMILES:

CC(C)C[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1C

InChIKey:

                        INHIVBOKYRGIRE-RFNQJFSXSA-N
                        
                    

InChI:

InChI=1S/C32H59N5O5/c1-18(2)13-23-28(38)34-24(14-19(3)4)31(41)37(12)27(17-22(9)10)30(40)35-25(15-20(5)6)32(42)36(11)26(16-21(7)8)29(39)33-23/h18-27H,13-17H2,1-12H3,(H,33,39)(H,34,38)(H,35,40)/t23-,24-,25-,26-,27-/m1/s1

Calculated Properties

ALogP:

3.339 lipophilicity

TPSA:

127.92 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.8438 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004066

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: CMNPD17834

Biological Activity Data

No bioactivity data available for this compound.

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