(4S,7S,10S)-7-(hydroxymethyl)-16-iodanyl-18-nitro-2,5,8-tris(oxidanylidene)-4-propan-2-yl-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carboxamide

Systemtic Name: (4S,7S,10S)-7-(hydroxymethyl)-16-iodanyl-18-nitro-2,5,8-tris(oxidanylidene)-4-propan-2-yl-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carboxamide Openeye Name: (4S,7S,10S)-7-(hydroxymethyl)-16-iodo-4-isopropyl-18-nitro-2,5,8-trioxo-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carboxamide CAS Name: (4S,7S,10S)-7-(hydroxymethyl)-16-iodo-18-nitro-2,5,8-trioxo-4-propan-2-yl-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carboxamide IUPAC Name: (4S,7S,10S)-7-(hydroxymethyl)-16-iodo-18-nitro-2,5,8-trioxo-4-propan-2-yl-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carboxamide Traditional Name: (4S,7S,10S)-16-iodo-4-isopropyl-2,5,8-triketo-7-methylol-18-nitro-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-10-carboxamide Formula: C20H27IN6O7 MolecularWeight: 590.36885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(C(=O)NC(CCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CO

InChI

InChI=1S/C20H27IN6O7/c1-9(2)15-20(32)25-14(8-28)19(31)24-13(17(22)29)4-3-5-23-16-11(18(30)26-15)6-10(27(33)34)7-12(16)21/h6-7,9,13-15,23,28H,3-5,8H2,1-2H3,(H2,22,29)(H,24,31)(H,25,32)(H,26,30)/t13-,14-,15-/m0/s1