(2S,5R)-1-[2-[(6-azanyl-2-sulfanyl-hexanoyl)amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,5R)-1-[2-[(6-azanyl-2-sulfanyl-hexanoyl)amino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,5R)-1-[2-[(6-amino-2-sulfanyl-hexanoyl)amino]acetyl]-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,5R)-1-[2-[(6-amino-2-mercapto-1-oxohexyl)amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,5R)-1-[2-[(6-amino-2-sulfanylhexanoyl)amino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: (2S,5R)-1-[2-[(6-amino-2-mercapto-hexanoyl)amino]acetyl]-5-phenyl-proline Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2)C(=O)CNC(=O)C(CCCCN)S)C(=O)O

Isomeric SMILES

C1C[C@H](N([C@H]1C2=CC=CC=C2)C(=O)CNC(=O)C(CCCCN)S)C(=O)O

InChI

InChI=1S/C19H27N3O4S/c20-11-5-4-8-16(27)18(24)21-12-17(23)22-14(9-10-15(22)19(25)26)13-6-2-1-3-7-13/h1-3,6-7,14-16,27H,4-5,8-12,20H2,(H,21,24)(H,25,26)/t14-,15+,16?/m1/s1