3-phenyl-2-(propan-2-ylsulfanylcarbamoylamino)propanoic acid

Systemtic Name: 3-phenyl-2-(propan-2-ylsulfanylcarbamoylamino)propanoic acid Openeye Name: 2-(isopropylsulfanylcarbamoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[oxo-[(propan-2-ylthio)amino]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-(propan-2-ylsulfanylcarbamoylamino)propanoic acid Traditional Name: 2-[(isopropylthio)carbamoylamino]-3-phenyl-propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-9(2)19-15-13(18)14-11(12(16)17)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,16,17)(H2,14,15,18)