2-(butanoylamino)-3-(1-propylsulfanylimidazol-4-yl)propanoic acid

Systemtic Name: 2-(butanoylamino)-3-(1-propylsulfanylimidazol-4-yl)propanoic acid Openeye Name: 2-(butanoylamino)-3-(1-propylsulfanylimidazol-4-yl)propanoic acid CAS Name: 2-(1-oxobutylamino)-3-[1-(propylthio)-4-imidazolyl]propanoic acid IUPAC Name: 2-(butanoylamino)-3-(1-propylsulfanylimidazol-4-yl)propanoic acid Traditional Name: 2-butyramido-3-[1-(propylthio)imidazol-4-yl]propionic acid Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CN(C=N1)SCCC)C(=O)O

Isomeric SMILES

CCCC(=O)NC(CC1=CN(C=N1)SCCC)C(=O)O

InChI

InChI=1S/C13H21N3O3S/c1-3-5-12(17)15-11(13(18)19)7-10-8-16(9-14-10)20-6-4-2/h8-9,11H,3-7H2,1-2H3,(H,15,17)(H,18,19)