2-[butyl-[(4-propan-2-ylphenyl)methyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[butyl-[(4-propan-2-ylphenyl)methyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[butyl-[(4-isopropylphenyl)methyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[butyl-[(4-propan-2-ylphenyl)methyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[butyl-[(4-propan-2-ylphenyl)methyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[butyl-(4-isopropylbenzyl)amino]-3-mercapto-propionic acid Formula: C17H27NO2S MolecularWeight: 309.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C(C)C)C(CS)C(=O)O

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C(C)C)C(CS)C(=O)O

InChI

InChI=1S/C17H27NO2S/c1-4-5-10-18(16(12-21)17(19)20)11-14-6-8-15(9-7-14)13(2)3/h6-9,13,16,21H,4-5,10-12H2,1-3H3,(H,19,20)