(4S,7S,10S)-15-iodanyl-7-(2-methylpropyl)-17-nitro-2,5,8-tris(oxidanylidene)-4-propan-2-yl-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide

Systemtic Name: (4S,7S,10S)-15-iodanyl-7-(2-methylpropyl)-17-nitro-2,5,8-tris(oxidanylidene)-4-propan-2-yl-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Openeye Name: (4S,7S,10S)-15-iodo-7-isobutyl-4-isopropyl-17-nitro-2,5,8-trioxo-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide CAS Name: (4S,7S,10S)-15-iodo-7-(2-methylpropyl)-17-nitro-2,5,8-trioxo-4-propan-2-yl-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide IUPAC Name: (4S,7S,10S)-15-iodo-7-(2-methylpropyl)-17-nitro-2,5,8-trioxo-4-propan-2-yl-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Traditional Name: (4S,7S,10S)-15-iodo-7-isobutyl-4-isopropyl-2,5,8-triketo-17-nitro-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Formula: C22H31IN6O6 MolecularWeight: 602.42261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(CCNC2=C(C=C(C=C2C(=O)NC(C(=O)N1)C(C)C)[N+](=O)[O-])I)C(=O)N

Isomeric SMILES

CC(C)C[C@H]1C(=O)N[C@@H](CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N1)C(C)C)[N+](=O)[O-])I)C(=O)N

InChI

InChI=1S/C22H31IN6O6/c1-10(2)7-16-21(32)26-15(19(24)30)5-6-25-18-13(8-12(29(34)35)9-14(18)23)20(31)28-17(11(3)4)22(33)27-16/h8-11,15-17,25H,5-7H2,1-4H3,(H2,24,30)(H,26,32)(H,27,33)(H,28,31)/t15-,16-,17-/m0/s1