(2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-7-methoxy-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-7-methoxy-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-2-isopropyl-7-methoxy-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-7-methoxy-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-7-methoxy-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-8-dec-1-ynyl-2-isopropyl-7-methoxy-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=C(C2=C(C=C1)N(C(C(=O)NC(C2)CO)C(C)C)C)OC

Isomeric SMILES

CCCCCCCCC#CC1=C(C2=C(C=C1)N([C@H](C(=O)N[C@@H](C2)CO)C(C)C)C)OC

InChI

InChI=1S/C26H40N2O3/c1-6-7-8-9-10-11-12-13-14-20-15-16-23-22(25(20)31-5)17-21(18-29)27-26(30)24(19(2)3)28(23)4/h15-16,19,21,24,29H,6-12,17-18H2,1-5H3,(H,27,30)/t21-,24-/m0/s1