(E)-6-methyl-N-[(3S,7S,10S)-7-methyl-2,5,6,9-tetrakis(oxidanylidene)-3-propan-2-yl-1,4,8-triazacyclotridec-10-yl]oct-2-enamide

Systemtic Name: (E)-6-methyl-N-[(3S,7S,10S)-7-methyl-2,5,6,9-tetrakis(oxidanylidene)-3-propan-2-yl-1,4,8-triazacyclotridec-10-yl]oct-2-enamide Openeye Name: (E)-N-[(3S,7S,10S)-3-isopropyl-7-methyl-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]-6-methyl-oct-2-enamide CAS Name: (E)-6-methyl-N-[(3S,7S,10S)-7-methyl-2,5,6,9-tetraoxo-3-propan-2-yl-1,4,8-triazacyclotridec-10-yl]-2-octenamide IUPAC Name: (E)-6-methyl-N-[(3S,7S,10S)-7-methyl-2,5,6,9-tetraoxo-3-propan-2-yl-1,4,8-triazacyclotridec-10-yl]oct-2-enamide Traditional Name: (E)-N-[(3S,7S,10S)-3-isopropyl-2,5,6,9-tetraketo-7-methyl-1,4,8-triazacyclotridec-10-yl]-6-methyl-oct-2-enamide Formula: C23H38N4O5 MolecularWeight: 450.57162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC=CC(=O)NC1CCCNC(=O)C(NC(=O)C(=O)C(NC1=O)C)C(C)C

Isomeric SMILES

CCC(C)CC/C=C/C(=O)N[C@H]1CCCNC(=O)[C@@H](NC(=O)C(=O)[C@@H](NC1=O)C)C(C)C

InChI

InChI=1S/C23H38N4O5/c1-6-15(4)10-7-8-12-18(28)26-17-11-9-13-24-22(31)19(14(2)3)27-23(32)20(29)16(5)25-21(17)30/h8,12,14-17,19H,6-7,9-11,13H2,1-5H3,(H,24,31)(H,25,30)(H,26,28)(H,27,32)/b12-8+/t15?,16-,17-,19-/m0/s1