(2S,3S)-3-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]valerate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C=CC1=CC=CS1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)/C=C/C1=CC=CS1

InChI

InChI=1S/C13H17NO3S/c1-3-9(2)12(13(16)17)14-11(15)7-6-10-5-4-8-18-10/h4-9,12H,3H2,1-2H3,(H,14,15)(H,16,17)/p-1/b7-6+/t9-,12-/m0/s1