7-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-9-thia-7-azaspiro[4.4]nonane-6-carboxylic acid

Systemtic Name: 7-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-9-thia-7-azaspiro[4.4]nonane-6-carboxylic acid Openeye Name: 7-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-9-thia-7-azaspiro[4.4]nonane-6-carboxylic acid CAS Name: 7-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-9-thia-7-azaspiro[4.4]nonane-6-carboxylic acid IUPAC Name: 7-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-9-thia-7-azaspiro[4.4]nonane-6-carboxylic acid Traditional Name: 7-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-9-thia-7-azaspiro[4.4]nonane-6-carboxylic acid Formula: C26H30N2O6S MolecularWeight: 498.5912

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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)CCCC4)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC4(C3C(=O)O)CCCC4)O

InChI

InChI=1S/C26H30N2O6S/c1-16-18(10-7-11-20(16)29)23(31)27-19(14-17-8-3-2-4-9-17)21(30)24(32)28-15-35-26(12-5-6-13-26)22(28)25(33)34/h2-4,7-11,19,21-22,29-30H,5-6,12-15H2,1H3,(H,27,31)(H,33,34)