(4S,7S,10S)-7-(2-azanyl-2-oxidanylidene-ethyl)-17-iodanyl-4-methyl-19-nitro-2,5,8-tris(oxidanylidene)-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-10-carboxamide

Systemtic Name: (4S,7S,10S)-7-(2-azanyl-2-oxidanylidene-ethyl)-17-iodanyl-4-methyl-19-nitro-2,5,8-tris(oxidanylidene)-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-10-carboxamide Openeye Name: (4S,7S,10S)-7-(2-amino-2-oxo-ethyl)-17-iodo-4-methyl-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-10-carboxamide CAS Name: (4S,7S,10S)-7-(2-amino-2-oxoethyl)-17-iodo-4-methyl-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]eicosa-1(16),17,19-triene-10-carboxamide IUPAC Name: (4S,7S,10S)-7-(2-amino-2-oxoethyl)-17-iodo-4-methyl-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-10-carboxamide Traditional Name: (4S,7S,10S)-7-(2-amino-2-keto-ethyl)-17-iodo-2,5,8-triketo-4-methyl-19-nitro-3,6,9,15-tetrazabicyclo[14.4.0]eicosa-1(16),17,19-triene-10-carboxamide Formula: C20H26IN7O7 MolecularWeight: 603.36761

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(CCCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CC(=O)N

Isomeric SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CC(=O)N

InChI

InChI=1S/C20H26IN7O7/c1-9-18(31)27-14(8-15(22)29)20(33)26-13(17(23)30)4-2-3-5-24-16-11(19(32)25-9)6-10(28(34)35)7-12(16)21/h6-7,9,13-14,24H,2-5,8H2,1H3,(H2,22,29)(H2,23,30)(H,25,32)(H,26,33)(H,27,31)/t9-,13-,14-/m0/s1