Amycolactam

AlkaPlorer ID: AK064190

Synonym: None

IUPAC Name: (3R,4R,5S)-3,4-dihydroxy-5-[[4-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]pyrrolidin-2-one

Structure

SMILES: CC(C)=CCC1=CC=CC2=C1C(C[C@@H]1N=C(O)[C@H](O)[C@@H]1O)=CN2

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InChI: InChI=1S/C18H22N2O3/c1-10(2)6-7-11-4-3-5-13-15(11)12(9-19-13)8-14-16(21)17(22)18(23)20-14/h3-6,9,14,16-17,19,21-22H,7-8H2,1-2H3,(H,20,23)/t14-,16+,17+/m0/s1

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InChIKey: PKZBNSLGSUGKQT-USXIJHARSA-N

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Source

Properties Information

Molecule Weight: 314.385

TPSA: 88.84

MolLogP: 2.2795999999999994

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information