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

Systemtic Name: 3-[(4S,7S,10S)-10-aminocarbonyl-7-(hydroxymethyl)-16-iodanyl-18-nitro-2,5,8-tris(oxidanylidene)-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid Openeye Name: 3-[(4S,7S,10S)-10-carbamoyl-7-(hydroxymethyl)-16-iodo-18-nitro-2,5,8-trioxo-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid CAS Name: 3-[(4S,7S,10S)-10-carbamoyl-7-(hydroxymethyl)-16-iodo-18-nitro-2,5,8-trioxo-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid IUPAC Name: 3-[(4S,7S,10S)-10-carbamoyl-7-(hydroxymethyl)-16-iodo-18-nitro-2,5,8-trioxo-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propanoic acid Traditional Name: 3-[(4S,7S,10S)-10-carbamoyl-16-iodo-2,5,8-triketo-7-methylol-18-nitro-3,6,9,14-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-4-yl]propionic acid Formula: C20H25IN6O9 MolecularWeight: 620.35177

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC(=O)C(NC(=O)C(NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CCC(=O)O)CO)C(=O)N

Isomeric SMILES

C1C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C2=CC(=CC(=C2NC1)I)[N+](=O)[O-])CCC(=O)O)CO)C(=O)N

InChI

InChI=1S/C20H25IN6O9/c21-11-7-9(27(35)36)6-10-16(11)23-5-1-2-12(17(22)31)24-20(34)14(8-28)26-19(33)13(25-18(10)32)3-4-15(29)30/h6-7,12-14,23,28H,1-5,8H2,(H2,22,31)(H,24,34)(H,25,32)(H,26,33)(H,29,30)/t12-,13-,14-/m0/s1