1-[2-azanyl-4-[3-(phenylmethoxycarbonylamino)propylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-azanyl-4-[3-(phenylmethoxycarbonylamino)propylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-amino-4-[3-(benzyloxycarbonylamino)propylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-amino-1-oxo-4-[3-(phenylmethoxycarbonylamino)propylthio]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-amino-4-[3-(phenylmethoxycarbonylamino)propylsulfanyl]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-amino-4-[3-(benzyloxycarbonylamino)propylthio]butanoyl]proline Formula: C20H29N3O5S MolecularWeight: 423.52636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c21-16(18(24)23-11-4-8-17(23)19(25)26)9-13-29-12-5-10-22-20(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14,21H2,(H,22,27)(H,25,26)