2-azanyl-3-phenyl-propanoic acid; 5-(phenylmethyl)-3-prop-2-enyl-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 5-(phenylmethyl)-3-prop-2-enyl-2-sulfanylidene-imidazolidin-4-one Openeye Name: 3-allyl-5-benzyl-2-thioxo-imidazolidin-4-one; 2-amino-3-phenyl-propanoic acid CAS Name: 2-amino-3-phenylpropanoic acid; 5-(phenylmethyl)-3-prop-2-enyl-2-sulfanylidene-4-imidazolidinone IUPAC Name: 2-amino-3-phenylpropanoic acid; 5-benzyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one Traditional Name: 3-allyl-5-benzyl-2-thioxo-4-imidazolidinone; 2-amino-3-phenyl-propionic acid Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(NC1=S)CC2=CC=CC=C2.C1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

C=CCN1C(=O)C(NC1=S)CC2=CC=CC=C2.C1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C13H14N2OS.C9H11NO2/c1-2-8-15-12(16)11(14-13(15)17)9-10-6-4-3-5-7-10;10-8(9(11)12)6-7-4-2-1-3-5-7/h2-7,11H,1,8-9H2,(H,14,17);1-5,8H,6,10H2,(H,11,12)