(2S,3S)-2-[(4-ethylphenyl)carbonylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(4-ethylphenyl)carbonylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(4-ethylbenzoyl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(4-ethylphenyl)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(4-ethylbenzoyl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(4-ethylbenzoyl)amino]-3-methyl-valerate Formula: C15H20NO3- MolecularWeight: 262.3242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(C(C)CC)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-4-10(3)13(15(18)19)16-14(17)12-8-6-11(5-2)7-9-12/h6-10,13H,4-5H2,1-3H3,(H,16,17)(H,18,19)/p-1/t10-,13-/m0/s1