Bacillamide A; 15S-Alcohol 

AlkaPlorer ID: AK290069

Synonym: Bacillamide B

IUPAC Name: 2-(1-hydroxyethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

Structure

SMILES: CC(O)C1=NC(C(=O)NCCC2=CNC3=CC=CC=C23)=CS1

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InChI: InChI=1S/C16H17N3O2S/c1-10(20)16-19-14(9-22-16)15(21)17-7-6-11-8-18-13-5-3-2-4-12(11)13/h2-5,8-10,18,20H,6-7H2,1H3,(H,17,21)

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InChIKey: RXPPYFWSDOEDOR-UHFFFAOYSA-N

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Reference

PubChem CID: 74218116

COCONUT: CNP0383692.1

Properties Information

Molecule Weight: 315.398

TPSA: 78.01

MolLogP: 2.6502000000000008

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information