(-)-acrozine B

AlkaPlorer ID: AK327603

Synonym: None

IUPAC Name: (3R,6R)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methoxy-3-methylsulfanylpiperazine-2,5-dione

Structure

SMILES: CON1C(=O)[C@@](CC2=CNC3=CC=CC=C23)(SC)NC(=O)[C@H]1CO

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InChI: InChI=1S/C16H19N3O4S/c1-23-19-13(9-20)14(21)18-16(24-2,15(19)22)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,13,17,20H,7,9H2,1-2H3,(H,18,21)/t13-,16-/m1/s1

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InChIKey: URSNEXGMZBGKLE-CZUORRHYSA-N

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Properties Information

Molecule Weight: 349.4120000000001

TPSA: 94.66

MolLogP: 0.6503999999999994

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information