(2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-ammonio-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-valerate Formula: C15H22N2O4 MolecularWeight: 294.34618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C(CC1=CC=C(C=C1)O)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC1=CC=C(C=C1)O)[NH3+]

InChI

InChI=1S/C15H22N2O4/c1-9(2)7-13(15(20)21)17-14(19)12(16)8-10-3-5-11(18)6-4-10/h3-6,9,12-13,18H,7-8,16H2,1-2H3,(H,17,19)(H,20,21)/t12-,13-/m0/s1