2-[4-methylpentanoyl(sulfanylmethyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-methylpentanoyl(sulfanylmethyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[4-methylpentanoyl(sulfanylmethyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[mercaptomethyl-(4-methyl-1-oxopentyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[4-methylpentanoyl(sulfanylmethyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[mercaptomethyl(4-methylpentanoyl)amino]-3-phenyl-propionic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(CS)C(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CCC(=O)N(CS)C(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-12(2)8-9-15(18)17(11-21)14(16(19)20)10-13-6-4-3-5-7-13/h3-7,12,14,21H,8-11H2,1-2H3,(H,19,20)