2-[[2-(2-adamantylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-(2-adamantylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(2-adamantylsulfanylmethyl)-3-phenyl-butanoyl]amino]propanoic acid CAS Name: 2-[[2-[(2-adamantylthio)methyl]-1-oxo-3-phenylbutyl]amino]propanoic acid IUPAC Name: 2-[[2-(2-adamantylsulfanylmethyl)-3-phenylbutanoyl]amino]propanoic acid Traditional Name: 2-[[2-[(2-adamantylthio)methyl]-3-phenyl-butanoyl]amino]propionic acid Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC2C3CC4CC(C3)CC2C4)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC2C3CC4CC(C3)CC2C4)C(=O)NC(C)C(=O)O

InChI

InChI=1S/C24H33NO3S/c1-14(18-6-4-3-5-7-18)21(23(26)25-15(2)24(27)28)13-29-22-19-9-16-8-17(11-19)12-20(22)10-16/h3-7,14-17,19-22H,8-13H2,1-2H3,(H,25,26)(H,27,28)