4-[[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]butanoate

Systemtic Name: 4-[[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]butanoate Openeye Name: 4-[[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]butanoate CAS Name: 4-[[(2S,3S)-3-methyl-1-oxo-2-phenylpentyl]amino]butanoate IUPAC Name: 4-[[(2S,3S)-3-methyl-2-phenylpentanoyl]amino]butanoate Traditional Name: 4-[[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]butyrate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-3-12(2)15(13-8-5-4-6-9-13)16(20)17-11-7-10-14(18)19/h4-6,8-9,12,15H,3,7,10-11H2,1-2H3,(H,17,20)(H,18,19)/p-1/t12-,15-/m0/s1