N,N'-bis[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]dodecanediamide

Systemtic Name: N,N'-bis[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]dodecanediamide Openeye Name: N,N'-bis[(2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]dodecanediamide CAS Name: N,N'-bis[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]dodecanediamide IUPAC Name: N,N'-bis[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]dodecanediamide Traditional Name: N,N'-bis[(2S,5S)-2-isopropyl-3-keto-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]dodecanediamide Formula: C42H64N6O6 MolecularWeight: 748.99416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=C(N1C)C=CC(=C2)NC(=O)CCCCCCCCCCC(=O)NC3=CC4=C(C=C3)N(C(C(=O)NC(C4)CO)C(C)C)C)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=C(N1C)C=CC(=C2)NC(=O)CCCCCCCCCCC(=O)NC3=CC4=C(C=C3)N([C@H](C(=O)N[C@@H](C4)CO)C(C)C)C)CO

InChI

InChI=1S/C42H64N6O6/c1-27(2)39-41(53)45-33(25-49)23-29-21-31(17-19-35(29)47(39)5)43-37(51)15-13-11-9-7-8-10-12-14-16-38(52)44-32-18-20-36-30(22-32)24-34(26-50)46-42(54)40(28(3)4)48(36)6/h17-22,27-28,33-34,39-40,49-50H,7-16,23-26H2,1-6H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)/t33-,34-,39-,40-/m0/s1