(4R)-6-oxidanylidene-N-(2-oxidanyl-2-phenyl-ethyl)-1,2-dithia-5-azacyclododecane-4-carboxamide

Systemtic Name: (4R)-6-oxidanylidene-N-(2-oxidanyl-2-phenyl-ethyl)-1,2-dithia-5-azacyclododecane-4-carboxamide Openeye Name: (4R)-N-(2-hydroxy-2-phenyl-ethyl)-6-oxo-1,2-dithia-5-azacyclododecane-4-carboxamide CAS Name: (4R)-N-(2-hydroxy-2-phenylethyl)-6-oxo-1,2-dithia-5-azacyclododecane-4-carboxamide IUPAC Name: (4R)-N-(2-hydroxy-2-phenylethyl)-6-oxo-1,2-dithia-5-azacyclododecane-4-carboxamide Traditional Name: (4R)-N-(2-hydroxy-2-phenyl-ethyl)-6-keto-1,2-dithia-5-azacyclododecane-4-carboxamide Formula: C18H26N2O3S2 MolecularWeight: 382.54064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCSSCC(NC(=O)CC1)C(=O)NCC(C2=CC=CC=C2)O

Isomeric SMILES

C1CCCSSC[C@H](NC(=O)CC1)C(=O)NCC(C2=CC=CC=C2)O

InChI

InChI=1S/C18H26N2O3S2/c21-16(14-8-4-3-5-9-14)12-19-18(23)15-13-25-24-11-7-2-1-6-10-17(22)20-15/h3-5,8-9,15-16,21H,1-2,6-7,10-13H2,(H,19,23)(H,20,22)/t15-,16?/m0/s1