2-[(4-methyl-2-phenylazanyl-pentanethioyl)-propyl-amino]ethanoic acid

Systemtic Name: 2-[(4-methyl-2-phenylazanyl-pentanethioyl)-propyl-amino]ethanoic acid Openeye Name: 2-[(2-anilino-4-methyl-pentanethioyl)-propyl-amino]acetic acid CAS Name: 2-[(2-anilino-4-methyl-1-sulfanylidenepentyl)-propylamino]acetic acid IUPAC Name: 2-[(2-anilino-4-methylpentanethioyl)-propylamino]acetic acid Traditional Name: 2-[(2-anilino-4-methyl-pentanethioyl)-propyl-amino]acetic acid Formula: C17H26N2O2S MolecularWeight: 322.46554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)O)C(=S)C(CC(C)C)NC1=CC=CC=C1

Isomeric SMILES

CCCN(CC(=O)O)C(=S)C(CC(C)C)NC1=CC=CC=C1

InChI

InChI=1S/C17H26N2O2S/c1-4-10-19(12-16(20)21)17(22)15(11-13(2)3)18-14-8-6-5-7-9-14/h5-9,13,15,18H,4,10-12H2,1-3H3,(H,20,21)