3-[(4S,7S,10S)-10-aminocarbonyl-17-iodanyl-4-methyl-19-nitro-2,5,8-tris(oxidanylidene)-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-trien-7-yl]propanoic acid

Systemtic Name: 3-[(4S,7S,10S)-10-aminocarbonyl-17-iodanyl-4-methyl-19-nitro-2,5,8-tris(oxidanylidene)-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-trien-7-yl]propanoic acid Openeye Name: 3-[(4S,7S,10S)-10-carbamoyl-17-iodo-4-methyl-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-trien-7-yl]propanoic acid CAS Name: 3-[(4S,7S,10S)-10-carbamoyl-17-iodo-4-methyl-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]eicosa-1(16),17,19-trien-7-yl]propanoic acid IUPAC Name: 3-[(4S,7S,10S)-10-carbamoyl-17-iodo-4-methyl-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-trien-7-yl]propanoic acid Traditional Name: 3-[(4S,7S,10S)-10-carbamoyl-17-iodo-2,5,8-triketo-4-methyl-19-nitro-3,6,9,15-tetrazabicyclo[14.4.0]eicosa-1(16),17,19-trien-7-yl]propionic acid Formula: C21H27IN6O8 MolecularWeight: 618.37895

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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)CCC(=O)O

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)CCC(=O)O

InChI

InChI=1S/C21H27IN6O8/c1-10-19(32)27-15(5-6-16(29)30)21(34)26-14(18(23)31)4-2-3-7-24-17-12(20(33)25-10)8-11(28(35)36)9-13(17)22/h8-10,14-15,24H,2-7H2,1H3,(H2,23,31)(H,25,33)(H,26,34)(H,27,32)(H,29,30)/t10-,14-,15-/m0/s1