tert-butyl 5-[9-(3-azanylpropanoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-5-oxidanylidene-2-(phenylsulfonylamino)pentanoate

Systemtic Name: tert-butyl 5-[9-(3-azanylpropanoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-5-oxidanylidene-2-(phenylsulfonylamino)pentanoate Openeye Name: tert-butyl 5-[9-(3-aminopropanoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-(benzenesulfonamido)-5-oxo-pentanoate CAS Name: 5-[9-(3-amino-1-oxopropyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-(benzenesulfonamido)-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[9-(3-aminopropanoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-(benzenesulfonamido)-5-oxopentanoate Traditional Name: 5-[9-(3-aminopropanoyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-(benzenesulfonamido)-5-keto-valeric acid tert-butyl ester Formula: C27H42N4O6S MolecularWeight: 550.71058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)N1CCC2(CC1)CCN(CC2)C(=O)CCN)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)N1CCC2(CC1)CCN(CC2)C(=O)CCN)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H42N4O6S/c1-26(2,3)37-25(34)22(29-38(35,36)21-7-5-4-6-8-21)9-10-23(32)30-17-12-27(13-18-30)14-19-31(20-15-27)24(33)11-16-28/h4-8,22,29H,9-20,28H2,1-3H3