(2S,3S)-3-methyl-2-(2-thiophen-3-ylethanoylamino)pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-(2-thiophen-3-ylethanoylamino)pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-(3-thienyl)acetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[1-oxo-2-(3-thiophenyl)ethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(2-thiophen-3-ylacetyl)amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-(3-thienyl)acetyl]amino]valerate Formula: C12H16NO3S- MolecularWeight: 254.32534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)CC1=CSC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)CC1=CSC=C1

InChI

InChI=1S/C12H17NO3S/c1-3-8(2)11(12(15)16)13-10(14)6-9-4-5-17-7-9/h4-5,7-8,11H,3,6H2,1-2H3,(H,13,14)(H,15,16)/p-1/t8-,11-/m0/s1