2-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-4-thia-2-azaspiro[4.5]decane-1-carboxylic acid

Systemtic Name: 2-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]-4-thia-2-azaspiro[4.5]decane-1-carboxylic acid Openeye Name: 2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-4-thia-2-azaspiro[4.5]decane-1-carboxylic acid CAS Name: 2-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-4-thia-2-azaspiro[4.5]decane-1-carboxylic acid IUPAC Name: 2-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-4-thia-2-azaspiro[4.5]decane-1-carboxylic acid Traditional Name: 2-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-4-thia-2-azaspiro[4.5]decane-1-carboxylic acid Formula: C27H32N2O6S MolecularWeight: 512.61778

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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)CCCCC4)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CSC4(C3C(=O)O)CCCCC4)O

InChI

InChI=1S/C27H32N2O6S/c1-17-19(11-8-12-21(17)30)24(32)28-20(15-18-9-4-2-5-10-18)22(31)25(33)29-16-36-27(23(29)26(34)35)13-6-3-7-14-27/h2,4-5,8-12,20,22-23,30-31H,3,6-7,13-16H2,1H3,(H,28,32)(H,34,35)