(2S,4S)-Pinnatanine

AlkaPlorer ID: AK013451

Synonym: 'pinnatanine'

IUPAC Name: (2S,4S)-2-amino-4-hydroxy-5-[2-(hydroxymethyl)buta-1,3-dienylamino]-5-oxopentanoic acid

Structure

SMILES: C=CC(=CN=C(O)[C@@H](O)C[C@H](N)C(=O)O)CO

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InChI: InChI=1S/C10H16N2O5/c1-2-6(5-13)4-12-9(15)8(14)3-7(11)10(16)17/h2,4,7-8,13-14H,1,3,5,11H2,(H,12,15)(H,16,17)/t7-,8-/m0/s1

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InChIKey: VYDAYIZJJUOQMT-YUMQZZPRSA-N

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Source

Properties Information

Molecule Weight: 244.247

TPSA: 136.37

MolLogP: -0.8319999999999994

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information