(2S)-2-(octylsulfonylamino)-5-oxidanylidene-5-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]pentanoic acid

Systemtic Name: (2S)-2-(octylsulfonylamino)-5-oxidanylidene-5-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]pentanoic acid Openeye Name: (2S)-2-(octylsulfonylamino)-5-oxo-5-[4-[3-(4-piperidyl)propyl]-1-piperidyl]pentanoic acid CAS Name: (2S)-2-(octylsulfonylamino)-5-oxo-5-[4-[3-(4-piperidinyl)propyl]-1-piperidinyl]pentanoic acid IUPAC Name: (2S)-2-(octylsulfonylamino)-5-oxo-5-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]pentanoic acid Traditional Name: (2S)-5-keto-2-(octylsulfonylamino)-5-[4-[3-(4-piperidyl)propyl]piperidino]valeric acid Formula: C26H49N3O5S MolecularWeight: 515.74936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC(CCC(=O)N1CCC(CC1)CCCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)N[C@@H](CCC(=O)N1CCC(CC1)CCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C26H49N3O5S/c1-2-3-4-5-6-7-21-35(33,34)28-24(26(31)32)11-12-25(30)29-19-15-23(16-20-29)10-8-9-22-13-17-27-18-14-22/h22-24,27-28H,2-21H2,1H3,(H,31,32)/t24-/m0/s1