(2S)-2-(tert-butylcarbamothioylamino)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-(tert-butylcarbamothioylamino)-3-phenyl-propanoic acid Openeye Name: (2S)-2-(tert-butylcarbamothioylamino)-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(tert-butylamino)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-(tert-butylcarbamothioylamino)-3-phenylpropanoic acid Traditional Name: (2S)-2-(tert-butylthiocarbamoylamino)-3-phenyl-propionic acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=S)N[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H20N2O2S/c1-14(2,3)16-13(19)15-11(12(17)18)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,17,18)(H2,15,16,19)/t11-/m0/s1