8-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid

Systemtic Name: 8-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]ethanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Openeye Name: 8-[2-[(1-carboxy-3-phenyl-propyl)amino]acetyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid CAS Name: 8-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxoethyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid IUPAC Name: 8-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]acetyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Traditional Name: 8-[2-[(1-carboxy-3-phenyl-propyl)amino]acetyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC12CC(N(C2)C(=O)CNC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CSCC12CC(N(C2)C(=O)CNC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H26N2O5S/c23-17(22-12-20(8-9-28-13-20)10-16(22)19(26)27)11-21-15(18(24)25)7-6-14-4-2-1-3-5-14/h1-5,15-16,21H,6-13H2,(H,24,25)(H,26,27)