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

Systemtic Name: 8-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Openeye Name: 8-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid CAS Name: 8-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid IUPAC Name: 8-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Traditional Name: 8-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2(CCSC2)CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CC2(CCSC2)CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H28N2O5S/c1-14(22-16(19(25)26)8-7-15-5-3-2-4-6-15)18(24)23-12-21(9-10-29-13-21)11-17(23)20(27)28/h2-6,14,16-17,22H,7-13H2,1H3,(H,25,26)(H,27,28)