(2S,4S)-4-azido-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-azido-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-4-azido-1-(3-benzoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-4-azido-1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-4-azido-1-(3-benzoylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-4-azido-1-[3-(benzoylthio)-2-methyl-propanoyl]proline Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2CC(CC2C(=O)O)N=[N+]=[N-]

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C[C@H](C[C@H]2C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C16H18N4O4S/c1-10(9-25-16(24)11-5-3-2-4-6-11)14(21)20-8-12(18-19-17)7-13(20)15(22)23/h2-6,10,12-13H,7-9H2,1H3,(H,22,23)/t10?,12-,13-/m0/s1