(2S,3S)-3-methyl-2-(3-phenoxypropanoylamino)pentanoic acid

Systemtic Name: (2S,3S)-3-methyl-2-(3-phenoxypropanoylamino)pentanoic acid Openeye Name: (2S,3S)-3-methyl-2-(3-phenoxypropanoylamino)pentanoic acid CAS Name: (2S,3S)-3-methyl-2-[(1-oxo-3-phenoxypropyl)amino]pentanoic acid IUPAC Name: (2S,3S)-3-methyl-2-(3-phenoxypropanoylamino)pentanoic acid Traditional Name: (2S,3S)-3-methyl-2-(3-phenoxypropanoylamino)valeric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCOC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCOC1=CC=CC=C1

InChI

InChI=1S/C15H21NO4/c1-3-11(2)14(15(18)19)16-13(17)9-10-20-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,16,17)(H,18,19)/t11-,14-/m0/s1