(2S,3S)-2-[3-(3-methylphenoxy)propanoylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[3-(3-methylphenoxy)propanoylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[3-(3-methylphenoxy)propanoylamino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[3-(3-methylphenoxy)-1-oxopropyl]amino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[3-(3-methylphenoxy)propanoylamino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[3-(3-methylphenoxy)propanoylamino]butyrate Formula: C14H18NO5- MolecularWeight: 280.29642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)NC(C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N[C@@H]([C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C14H19NO5/c1-9-4-3-5-11(8-9)20-7-6-12(17)15-13(10(2)16)14(18)19/h3-5,8,10,13,16H,6-7H2,1-2H3,(H,15,17)(H,18,19)/p-1/t10-,13-/m0/s1