2-[3-(2-azanylethylamino)propyl]-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[3-(2-azanylethylamino)propyl]-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-pentanoic acid Openeye Name: 2-[3-(2-aminoethylamino)propyl]-4-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-pentanoic acid CAS Name: 2-[3-(2-aminoethylamino)propyl]-4-[(4-methoxyphenyl)methylthio]-4-methylpentanoic acid IUPAC Name: 2-[3-(2-aminoethylamino)propyl]-4-[(4-methoxyphenyl)methylsulfanyl]-4-methylpentanoic acid Traditional Name: 2-[3-(2-aminoethylamino)propyl]-4-methyl-4-(p-anisylthio)valeric acid Formula: C19H32N2O3S MolecularWeight: 368.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CCCNCCN)C(=O)O)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)(CC(CCCNCCN)C(=O)O)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C19H32N2O3S/c1-19(2,25-14-15-6-8-17(24-3)9-7-15)13-16(18(22)23)5-4-11-21-12-10-20/h6-9,16,21H,4-5,10-14,20H2,1-3H3,(H,22,23)