(2S,5S,6R,10R,11S)-10-heptyl-11-methyl-6-oxidanyl-5-(phenylmethyl)-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione

Systemtic Name: (2S,5S,6R,10R,11S)-10-heptyl-11-methyl-6-oxidanyl-5-(phenylmethyl)-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Openeye Name: (2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-2-isopropyl-11-methyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione CAS Name: (2S,5S,6R,10R,11S)-10-heptyl-6-hydroxy-11-methyl-5-(phenylmethyl)-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione IUPAC Name: (2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-11-methyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Traditional Name: (2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-2-isopropyl-11-methyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Formula: C27H41NO6 MolecularWeight: 475.61754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(=O)OC(C(=O)NC(C(CC(=O)O1)O)CC2=CC=CC=C2)C(C)C)C

Isomeric SMILES

CCCCCCC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)N[C@H]([C@@H](CC(=O)O1)O)CC2=CC=CC=C2)C(C)C)C

InChI

InChI=1S/C27H41NO6/c1-5-6-7-8-12-15-23-19(4)27(32)34-25(18(2)3)26(31)28-21(22(29)17-24(30)33-23)16-20-13-10-9-11-14-20/h9-11,13-14,18-19,21-23,25,29H,5-8,12,15-17H2,1-4H3,(H,28,31)/t19-,21-,22+,23+,25-/m0/s1