(2S)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]valeric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C=CC1=CC=CS1

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9(2)8-11(13(16)17)14-12(15)6-5-10-4-3-7-18-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)/b6-5+/t11-/m0/s1