2-[(3R,6R,12R)-5,13-bis(oxidanylidene)-12-(phenylmethyl)-3-[(phenylmethylsulfanyl)methyl]-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[2-(2-hydroxyethyloxy)ethyl]ethanamide

Systemtic Name: 2-[(3R,6R,12R)-5,13-bis(oxidanylidene)-12-(phenylmethyl)-3-[(phenylmethylsulfanyl)methyl]-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[2-(2-hydroxyethyloxy)ethyl]ethanamide Openeye Name: 2-[(3R,6R,12R)-12-benzyl-3-(benzylsulfanylmethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide CAS Name: 2-[(3R,6R,12R)-5,13-dioxo-12-(phenylmethyl)-3-[(phenylmethylthio)methyl]-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide IUPAC Name: 2-[(3R,6R,12R)-12-benzyl-3-(benzylsulfanylmethyl)-5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide Traditional Name: 2-[(3R,6R,12R)-12-benzyl-3-[(benzylthio)methyl]-5,13-diketo-1-oxa-4-azacyclotridec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide Formula: C32H42N2O6S MolecularWeight: 582.75068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)OCC(NC(=O)C(CC=C1)CC(=O)NCCOCCO)CSCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C(=O)OC[C@@H](NC(=O)[C@H](CC=C1)CC(=O)NCCOCCO)CSCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C32H42N2O6S/c35-17-19-39-18-16-33-30(36)21-27-14-8-3-9-15-28(20-25-10-4-1-5-11-25)32(38)40-22-29(34-31(27)37)24-41-23-26-12-6-2-7-13-26/h1-8,10-13,27-29,35H,9,14-24H2,(H,33,36)(H,34,37)/t27-,28-,29-/m1/s1