(2S)-4-methylsulfanyl-2-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(2S)-1-oxo-2-(1-pyrazolyl)propyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]butyrate Formula: C11H16N3O3S- MolecularWeight: 270.32804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)[O-])N1C=CC=N1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCSC)C(=O)[O-])N1C=CC=N1

InChI

InChI=1S/C11H17N3O3S/c1-8(14-6-3-5-12-14)10(15)13-9(11(16)17)4-7-18-2/h3,5-6,8-9H,4,7H2,1-2H3,(H,13,15)(H,16,17)/p-1/t8-,9-/m0/s1