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

Systemtic Name: 1-[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2S)-2-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2S)-2-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]proline Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)S)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)S)C(=O)O

InChI

InChI=1S/C23H26N2O4S/c26-21(20(30)15-17-10-5-2-6-11-17)24-18(14-16-8-3-1-4-9-16)22(27)25-13-7-12-19(25)23(28)29/h1-6,8-11,18-20,30H,7,12-15H2,(H,24,26)(H,28,29)/t18-,19?,20-/m0/s1