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

Systemtic Name: 3-[(4S,7S,10S)-10-aminocarbonyl-7-(hydroxymethyl)-17-iodanyl-19-nitro-2,5,8-tris(oxidanylidene)-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-trien-4-yl]propanoic acid Openeye Name: 3-[(4S,7S,10S)-10-carbamoyl-7-(hydroxymethyl)-17-iodo-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-trien-4-yl]propanoic acid CAS Name: 3-[(4S,7S,10S)-10-carbamoyl-7-(hydroxymethyl)-17-iodo-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]eicosa-1(16),17,19-trien-4-yl]propanoic acid IUPAC Name: 3-[(4S,7S,10S)-10-carbamoyl-7-(hydroxymethyl)-17-iodo-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-trien-4-yl]propanoic acid Traditional Name: 3-[(4S,7S,10S)-10-carbamoyl-17-iodo-2,5,8-triketo-7-methylol-19-nitro-3,6,9,15-tetrazabicyclo[14.4.0]eicosa-1(16),17,19-trien-4-yl]propionic acid Formula: C21H27IN6O9 MolecularWeight: 634.37835

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=C(C=C(C=C2C(=O)NC(C(=O)NC(C(=O)NC(C1)C(=O)N)CO)CCC(=O)O)[N+](=O)[O-])I

Isomeric SMILES

C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C1)C(=O)N)CO)CCC(=O)O)[N+](=O)[O-])I

InChI

InChI=1S/C21H27IN6O9/c22-12-8-10(28(36)37)7-11-17(12)24-6-2-1-3-13(18(23)32)25-21(35)15(9-29)27-20(34)14(26-19(11)33)4-5-16(30)31/h7-8,13-15,24,29H,1-6,9H2,(H2,23,32)(H,25,35)(H,26,33)(H,27,34)(H,30,31)/t13-,14-,15-/m0/s1