Acetopine; (S)-form 

AlkaPlorer ID: AK283004

Synonym: L-form 

IUPAC Name: 2-(carboxymethylamino)-5-(diaminomethylideneamino)pentanoic acid

Structure

SMILES: N=C(N)NCCCC(NCC(=O)O)C(=O)O

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InChI: InChI=1S/C8H16N4O4/c9-8(10)11-3-1-2-5(7(15)16)12-4-6(13)14/h5,12H,1-4H2,(H,13,14)(H,15,16)(H4,9,10,11)

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InChIKey: LJNDQMBPIQGDNB-UHFFFAOYSA-N

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Reference

PubChem CID: 22675590

COCONUT: CNP0196711.1

Properties Information

Molecule Weight: 232.24

TPSA: 148.53

MolLogP: -1.6229299999999975

Number of H-Donors: 6

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information