N-(2-hydroxyethyl)-2-[(2S,6R,11S)-2-methyl-5,12-bis(oxidanylidene)-11-(phenylmethyl)-1-oxa-4-azacyclododec-8-en-6-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-(2-hydroxyethyl)-2-[(2S,6R,11S)-2-methyl-5,12-bis(oxidanylidene)-11-(phenylmethyl)-1-oxa-4-azacyclododec-8-en-6-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(2S,6R,11S)-11-benzyl-2-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide CAS Name: N-(2-hydroxyethyl)-2-[(2S,6R,11S)-2-methyl-5,12-dioxo-11-(phenylmethyl)-1-oxa-4-azacyclododec-8-en-6-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2S,6R,11S)-11-benzyl-2-methyl-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide Traditional Name: N-benzyl-2-[(2S,6R,11S)-11-benzyl-5,12-diketo-2-methyl-1-oxa-4-azacyclododec-8-en-6-yl]-N-(2-hydroxyethyl)acetamide Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(=O)C(CC=CCC(C(=O)O1)CC2=CC=CC=C2)CC(=O)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CNC(=O)[C@H](CC=CC[C@H](C(=O)O1)CC2=CC=CC=C2)CC(=O)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C29H36N2O5/c1-22-20-30-28(34)25(19-27(33)31(16-17-32)21-24-12-6-3-7-13-24)14-8-9-15-26(29(35)36-22)18-23-10-4-2-5-11-23/h2-13,22,25-26,32H,14-21H2,1H3,(H,30,34)/t22-,25+,26-/m0/s1