1-[(2S)-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(2S)-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2S)-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]piperidine-2-carboxylic acid CAS Name: 1-[(2S)-2-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]propanoyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2S)-2-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]propanoyl]pipecolinic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)S

InChI

InChI=1S/C18H24N2O4S/c1-12(17(22)20-10-6-5-9-14(20)18(23)24)19-16(21)15(25)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,21)(H,23,24)/t12-,14?,15-/m0/s1