(2S,3S)-3-methyl-2-[[(2S)-2-phenylbutanoyl]amino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[[(2S)-2-phenylbutanoyl]amino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[(2S)-2-phenylbutanoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(2S)-1-oxo-2-phenylbutyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[(2S)-2-phenylbutanoyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[(2S)-2-phenylbutanoyl]amino]valerate Formula: C16H22NO3- MolecularWeight: 276.35078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C(CC)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-4-11(3)14(16(19)20)17-15(18)13(5-2)12-9-7-6-8-10-12/h6-11,13-14H,4-5H2,1-3H3,(H,17,18)(H,19,20)/p-1/t11-,13-,14-/m0/s1