1-[2-azanyl-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-azanyl-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-amino-4-[2-(benzyloxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-amino-1-oxo-4-[2-(phenylmethoxycarbonylamino)ethylthio]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-amino-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-amino-4-[2-(benzyloxycarbonylamino)ethylthio]butanoyl]proline Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCSCCNC(=O)OCC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCSCCNC(=O)OCC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C19H27N3O5S/c20-15(17(23)22-10-4-7-16(22)18(24)25)8-11-28-12-9-21-19(26)27-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13,20H2,(H,21,26)(H,24,25)