(4S,7S,10S)-7-(4-azanylbutyl)-15-iodanyl-4-methyl-17-nitro-2,5,8-tris(oxidanylidene)-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide

Systemtic Name: (4S,7S,10S)-7-(4-azanylbutyl)-15-iodanyl-4-methyl-17-nitro-2,5,8-tris(oxidanylidene)-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Openeye Name: (4S,7S,10S)-7-(4-aminobutyl)-15-iodo-4-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide CAS Name: (4S,7S,10S)-7-(4-aminobutyl)-15-iodo-4-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide IUPAC Name: (4S,7S,10S)-7-(4-aminobutyl)-15-iodo-4-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Traditional Name: (4S,7S,10S)-7-(4-aminobutyl)-15-iodo-2,5,8-triketo-4-methyl-17-nitro-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Formula: C20H27IN6O7 MolecularWeight: 590.36885

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCCCN

Isomeric SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCCCN

InChI

InChI=1S/C20H27IN6O7/c1-10-18(29)26-15(4-2-3-6-22)20(31)25-14(17(23)28)5-7-34-16-12(19(30)24-10)8-11(27(32)33)9-13(16)21/h8-10,14-15H,2-7,22H2,1H3,(H2,23,28)(H,24,30)(H,25,31)(H,26,29)/t10-,14-,15-/m0/s1