2-[(2-azanyl-3-phenyl-propanoyl)-(2H-thiopyran-3-yl)amino]propanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(2H-thiopyran-3-yl)amino]propanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(2H-thiopyran-3-yl)amino]propanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(2H-thiopyran-3-yl)amino]propanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(2H-thiopyran-3-yl)amino]propanoic acid Traditional Name: 2-[phenylalanyl(2H-thiopyran-3-yl)amino]propionic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=CSC1)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C(=O)O)N(C1=CC=CSC1)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C17H20N2O3S/c1-12(17(21)22)19(14-8-5-9-23-11-14)16(20)15(18)10-13-6-3-2-4-7-13/h2-9,12,15H,10-11,18H2,1H3,(H,21,22)