4-[4-(hydroxymethyl)phenyl]sulfonylbutyl 2-(2-azanylethanoylamino)-3-methyl-butanoate

Systemtic Name: 4-[4-(hydroxymethyl)phenyl]sulfonylbutyl 2-(2-azanylethanoylamino)-3-methyl-butanoate Openeye Name: 4-[4-(hydroxymethyl)phenyl]sulfonylbutyl 2-[(2-aminoacetyl)amino]-3-methyl-butanoate CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-methylbutanoic acid 4-[4-(hydroxymethyl)phenyl]sulfonylbutyl ester IUPAC Name: 4-[4-(hydroxymethyl)phenyl]sulfonylbutyl 2-[(2-aminoacetyl)amino]-3-methylbutanoate Traditional Name: 2-(glycylamino)-3-methyl-butyric acid 4-(4-methylolphenyl)sulfonylbutyl ester Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCCS(=O)(=O)C1=CC=C(C=C1)CO)NC(=O)CN

Isomeric SMILES

CC(C)C(C(=O)OCCCCS(=O)(=O)C1=CC=C(C=C1)CO)NC(=O)CN

InChI

InChI=1S/C18H28N2O6S/c1-13(2)17(20-16(22)11-19)18(23)26-9-3-4-10-27(24,25)15-7-5-14(12-21)6-8-15/h5-8,13,17,21H,3-4,9-12,19H2,1-2H3,(H,20,22)