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

Systemtic Name: 3-[[4-[[8-tert-butyl-2-(4-methylphenyl)-3-oxidanylidene-2,4-diazaspiro[4.5]decan-4-yl]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[[8-tert-butyl-3-oxo-2-(p-tolyl)-2,4-diazaspiro[4.5]decan-4-yl]methyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[[8-tert-butyl-2-(4-methylphenyl)-3-oxo-2,4-diazaspiro[4.5]decan-4-yl]methyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[[8-tert-butyl-2-(4-methylphenyl)-3-oxo-2,4-diazaspiro[4.5]decan-4-yl]methyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[[8-tert-butyl-3-keto-2-(p-tolyl)-2,4-diazaspiro[4.5]decan-4-yl]methyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C30H39N3O5 MolecularWeight: 521.64776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC3(CCC(CC3)C(C)(C)C)N(C2=O)CC4=CC=C(C=C4)C(=O)NCC(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CC3(CCC(CC3)C(C)(C)C)N(C2=O)CC4=CC=C(C=C4)C(=O)NCC(C(=O)O)O

InChI

InChI=1S/C30H39N3O5/c1-20-5-11-24(12-6-20)32-19-30(15-13-23(14-16-30)29(2,3)4)33(28(32)38)18-21-7-9-22(10-8-21)26(35)31-17-25(34)27(36)37/h5-12,23,25,34H,13-19H2,1-4H3,(H,31,35)(H,36,37)