Spherophysine; N4'-(Carboxyacetyl) 

AlkaPlorer ID: AK154047

Synonym: Smirnovinine, Smyrnovinine

IUPAC Name: 3-[4-[carbamimidoyl(3-methylbut-2-enyl)amino]butylamino]-3-oxopropanoic acid

Structure

SMILES: CC(C)=CCN(CCCCNC(=O)CC(=O)O)C(=N)N

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InChI: InChI=1S/C13H24N4O3/c1-10(2)5-8-17(13(14)15)7-4-3-6-16-11(18)9-12(19)20/h5H,3-4,6-9H2,1-2H3,(H3,14,15)(H,16,18)(H,19,20)

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InChIKey: QELQKLAZVQNGPN-UHFFFAOYSA-N

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Reference

PubChem CID: 163053676

SuperNatural Ⅲ: SN0303200

COCONUT: CNP0338631

Properties Information

Molecule Weight: 284.36

TPSA: 119.51

MolLogP: 0.5191700000000009

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information