(2S,3S)-3-methyl-2-(phenoxycarbonylamino)pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-(phenoxycarbonylamino)pentanoate Openeye Name: (2S,3S)-3-methyl-2-(phenoxycarbonylamino)pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo(phenoxy)methyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-(phenoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(carbophenoxyamino)-3-methyl-valerate Formula: C13H16NO4- MolecularWeight: 250.27044

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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)/p-1/t9-,11-/m0/s1