(2S)-5-azanyl-5-oxidanylidene-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoate

Systemtic Name: (2S)-5-azanyl-5-oxidanylidene-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoate Openeye Name: (2S)-5-amino-5-oxo-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]pentanoate CAS Name: (2S)-5-amino-5-oxo-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]pentanoate IUPAC Name: (2S)-5-amino-5-oxo-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]pentanoate Traditional Name: (2S)-5-amino-5-keto-2-[[(E)-3-(2-thienyl)acryloyl]amino]valerate Formula: C12H13N2O4S- MolecularWeight: 281.30762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC(=O)NC(CCC(=O)N)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)/C=C/C(=O)N[C@@H](CCC(=O)N)C(=O)[O-]

InChI

InChI=1S/C12H14N2O4S/c13-10(15)5-4-9(12(17)18)14-11(16)6-3-8-2-1-7-19-8/h1-3,6-7,9H,4-5H2,(H2,13,15)(H,14,16)(H,17,18)/p-1/b6-3+/t9-/m0/s1