(2S)-2-[[2-[2-(dimethylazaniumyl)ethanoylamino]-5-ethyl-thiophen-3-yl]carbonylamino]butanoate

Systemtic Name: (2S)-2-[[2-[2-(dimethylazaniumyl)ethanoylamino]-5-ethyl-thiophen-3-yl]carbonylamino]butanoate Openeye Name: (2S)-2-[[2-[[2-(dimethylammonio)acetyl]amino]-5-ethyl-thiophene-3-carbonyl]amino]butanoate CAS Name: (2S)-2-[[[2-[[2-(dimethylammonio)-1-oxoethyl]amino]-5-ethyl-3-thiophenyl]-oxomethyl]amino]butanoate IUPAC Name: (2S)-2-[[2-[[2-(dimethylazaniumyl)acetyl]amino]-5-ethylthiophene-3-carbonyl]amino]butanoate Traditional Name: (2S)-2-[[2-[[2-(dimethylammonio)acetyl]amino]-5-ethyl-thiophene-3-carbonyl]amino]butyrate Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+](C)C)C(=O)NC(CC)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+](C)C)C(=O)N[C@@H](CC)C(=O)[O-]

InChI

InChI=1S/C15H23N3O4S/c1-5-9-7-10(13(20)16-11(6-2)15(21)22)14(23-9)17-12(19)8-18(3)4/h7,11H,5-6,8H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t11-/m0/s1