ethyl 2-[(2-azanyl-4-methyl-pentanoyl)amino]ethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 2-[(2-azanyl-4-methyl-pentanoyl)amino]ethanoate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 2-[(2-amino-4-methyl-pentanoyl)amino]acetate; 4-methylbenzenesulfonic acid CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]acetic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 2-[(2-amino-4-methylpentanoyl)amino]acetate; 4-methylbenzenesulfonic acid Traditional Name: 2-[(2-amino-4-methyl-pentanoyl)amino]acetic acid ethyl ester; tosylic acid Formula: C17H28N2O6S MolecularWeight: 388.47902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CC(C)C)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)CNC(=O)C(CC(C)C)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H20N2O3.C7H8O3S/c1-4-15-9(13)6-12-10(14)8(11)5-7(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,4-6,11H2,1-3H3,(H,12,14);2-5H,1H3,(H,8,9,10)