(3S,4S)-3-azaniumyl-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-4-thiophen-3-yl-pentanoate

Systemtic Name: (3S,4S)-3-azaniumyl-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-4-thiophen-3-yl-pentanoate Openeye Name: (3S,4S)-3-azaniumyl-5-tert-butoxy-5-oxo-4-(3-thienyl)pentanoate CAS Name: (3S,4S)-3-ammonio-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(3-thiophenyl)pentanoate IUPAC Name: (3S,4S)-3-azaniumyl-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-thiophen-3-ylpentanoate Traditional Name: (3S,4S)-3-ammonio-5-tert-butoxy-5-keto-4-(3-thienyl)valerate Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CSC=C1)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H](C1=CSC=C1)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C13H19NO4S/c1-13(2,3)18-12(17)11(8-4-5-19-7-8)9(14)6-10(15)16/h4-5,7,9,11H,6,14H2,1-3H3,(H,15,16)/t9-,11-/m0/s1