SCS-C001195

nocarazepine A

Pathway: Amino acids and Peptides

Chemical Structure

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Source Information

Nocardiopsis alba (gorgonian-derived actinomycete)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Streptosporangiales Family Nocardiopsidaceae Genus Nocardiopsis Species Nocardiopsis alba

Beibu Gulf

DOI: 10.1007/s10600-017-1983-6 · Chemistry of Natural Compounds

Drug-likeness (Lipinski Ro5)

Molecular Weight

323.4 Da

Threshold ≤ 500

ALogP

-0.01

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C16H25N3O4

Molecular Weight:

323.3900 Da

SMILES:

CC(=O)CCCNC(=O)[C@]1(C)CCN2C(=O)[C@@H](C)NC(=O)[C@@H]2C1

InChIKey:

                        SUEITZDEFMXEAW-BFQNTYOBSA-N
                        
                    

InChI:

InChI=1S/C16H25N3O4/c1-10(20)5-4-7-17-15(23)16(3)6-8-19-12(9-16)13(21)18-11(2)14(19)22/h11-12H,4-9H2,1-3H3,(H,17,23)(H,18,21)/t11-,12+,16-/m1/s1

Calculated Properties

ALogP:

-0.013 lipophilicity

TPSA:

95.58 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.7500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001195

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

Biological Activity Data

No bioactivity data available for this compound.

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