3-[[4-[[8-tert-butyl-2-(4-methylsulfonylphenyl)-3-oxidanylidene-2,4-diazaspiro[4.5]decan-4-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[8-tert-butyl-2-(4-methylsulfonylphenyl)-3-oxidanylidene-2,4-diazaspiro[4.5]decan-4-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[8-tert-butyl-2-(4-methylsulfonylphenyl)-3-oxo-2,4-diazaspiro[4.5]decan-4-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[8-tert-butyl-2-(4-methylsulfonylphenyl)-3-oxo-2,4-diazaspiro[4.5]decan-4-yl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[8-tert-butyl-2-(4-methylsulfonylphenyl)-3-oxo-2,4-diazaspiro[4.5]decan-4-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[8-tert-butyl-3-keto-2-(4-mesylphenyl)-2,4-diazaspiro[4.5]decan-4-yl]methyl]benzoyl]amino]propionic acid Formula: C30H39N3O6S MolecularWeight: 569.71216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2(CC1)CN(C(=O)N2CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1CCC2(CC1)CN(C(=O)N2CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C30H39N3O6S/c1-29(2,3)23-13-16-30(17-14-23)20-32(24-9-11-25(12-10-24)40(4,38)39)28(37)33(30)19-21-5-7-22(8-6-21)27(36)31-18-15-26(34)35/h5-12,23H,13-20H2,1-4H3,(H,31,36)(H,34,35)