3-[2-(4-phenylbutanoyloxyamino)propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid

Systemtic Name: 3-[2-(4-phenylbutanoyloxyamino)propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid Openeye Name: 3-[2-(4-phenylbutanoyloxyamino)propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid CAS Name: 3-[1-oxo-2-[(1-oxo-4-phenylbutoxy)amino]propyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid IUPAC Name: 3-[2-(4-phenylbutanoyloxyamino)propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid Traditional Name: 3-[2-(4-phenylbutanoyloxyamino)propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NOC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NOC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O5S2/c1-14(21-27-17(23)9-5-8-15-6-3-2-4-7-15)18(24)22-13-20(28-10-11-29-20)12-16(22)19(25)26/h2-4,6-7,14,16,21H,5,8-13H2,1H3,(H,25,26)