6-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-8-thia-6-azaspiro[3.4]octane-5-carboxylic acid

Systemtic Name: 6-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-8-thia-6-azaspiro[3.4]octane-5-carboxylic acid Openeye Name: 6-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-8-thia-6-azaspiro[3.4]octane-5-carboxylic acid CAS Name: 6-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-8-thia-6-azaspiro[3.4]octane-5-carboxylic acid IUPAC Name: 6-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-8-thia-6-azaspiro[3.4]octane-5-carboxylic acid Traditional Name: 6-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-8-thia-6-azaspiro[3.4]octane-5-carboxylic acid Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC4(C3C(=O)O)CCC4)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC4(C3C(=O)O)CCC4)O

InChI

InChI=1S/C25H28N2O6S/c1-15-17(9-5-10-19(15)28)22(30)26-18(13-16-7-3-2-4-8-16)20(29)23(31)27-14-34-25(11-6-12-25)21(27)24(32)33/h2-5,7-10,18,20-21,28-29H,6,11-14H2,1H3,(H,26,30)(H,32,33)