methyl (2S)-2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate hydrobromide

Systemtic Name: methyl (2S)-2-[(2-azanyl-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate hydrobromide Openeye Name: methyl (2S)-2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propanoate hydrobromide CAS Name: (2S)-2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester hydrobromide IUPAC Name: methyl (2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-(4-hydroxyphenyl)propanoate hydrobromide Traditional Name: (2S)-2-[(2-amino-3-methyl-butanoyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester hydrobromide Formula: C15H23BrN2O4 MolecularWeight: 375.25812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC)N.Br

Isomeric SMILES

CC(C)C(C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC)N.Br

InChI

InChI=1S/C15H22N2O4.BrH/c1-9(2)13(16)14(19)17-12(15(20)21-3)8-10-4-6-11(18)7-5-10;/h4-7,9,12-13,18H,8,16H2,1-3H3,(H,17,19);1H/t12-,13?;/m0./s1