(2S,3R)-3-methyl-2-(phenoxycarbonylamino)pentanoic acid

Systemtic Name: (2S,3R)-3-methyl-2-(phenoxycarbonylamino)pentanoic acid Openeye Name: (2S,3R)-3-methyl-2-(phenoxycarbonylamino)pentanoic acid CAS Name: (2S,3R)-3-methyl-2-[[oxo(phenoxy)methyl]amino]pentanoic acid IUPAC Name: (2S,3R)-3-methyl-2-(phenoxycarbonylamino)pentanoic acid Traditional Name: (2S,3R)-2-(carbophenoxyamino)-3-methyl-valeric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)OC1=CC=CC=C1

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C13H17NO4/c1-3-9(2)11(12(15)16)14-13(17)18-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,17)(H,15,16)/t9-,11+/m1/s1