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

Systemtic Name: 8-[2-[(1-methoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Openeye Name: 8-[2-[(1-methoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid CAS Name: 8-[2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid IUPAC Name: 8-[2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Traditional Name: 8-[2-[(1-carbomethoxy-3-phenyl-propyl)amino]propanoyl]-3-thia-8-azaspiro[4.4]nonane-7-carboxylic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-15(23-17(21(28)29-2)9-8-16-6-4-3-5-7-16)19(25)24-13-22(10-11-30-14-22)12-18(24)20(26)27/h3-7,15,17-18,23H,8-14H2,1-2H3,(H,26,27)