2-azanyl-3-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[(E)-3-(octylamino)-3-oxo-prop-1-enyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[(E)-3-(octylamino)-3-oxoprop-1-enyl]thio]propanoic acid IUPAC Name: 2-amino-3-[(E)-3-(octylamino)-3-oxoprop-1-enyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[(E)-3-keto-3-(octylamino)prop-1-enyl]thio]propionic acid Formula: C14H26N2O3S MolecularWeight: 302.43284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSCC(C(=O)O)N

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SCC(C(=O)O)N

InChI

InChI=1S/C14H26N2O3S/c1-2-3-4-5-6-7-9-16-13(17)8-10-20-11-12(15)14(18)19/h8,10,12H,2-7,9,11,15H2,1H3,(H,16,17)(H,18,19)/b10-8+