3-[(4S,7S,10S)-10-aminocarbonyl-15-iodanyl-4-methyl-17-nitro-2,5,8-tris(oxidanylidene)-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]propanoic acid

Systemtic Name: 3-[(4S,7S,10S)-10-aminocarbonyl-15-iodanyl-4-methyl-17-nitro-2,5,8-tris(oxidanylidene)-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]propanoic acid Openeye Name: 3-[(4S,7S,10S)-10-carbamoyl-15-iodo-4-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]propanoic acid CAS Name: 3-[(4S,7S,10S)-10-carbamoyl-15-iodo-4-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]propanoic acid IUPAC Name: 3-[(4S,7S,10S)-10-carbamoyl-15-iodo-4-methyl-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]propanoic acid Traditional Name: 3-[(4S,7S,10S)-10-carbamoyl-15-iodo-2,5,8-triketo-4-methyl-17-nitro-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]propionic acid Formula: C19H22IN5O9 MolecularWeight: 591.31055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(CCOC2=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](CCOC2=C(C=C(C=C2C(=O)N1)[N+](=O)[O-])I)C(=O)N)CCC(=O)O

InChI

InChI=1S/C19H22IN5O9/c1-8-17(29)24-13(2-3-14(26)27)19(31)23-12(16(21)28)4-5-34-15-10(18(30)22-8)6-9(25(32)33)7-11(15)20/h6-8,12-13H,2-5H2,1H3,(H2,21,28)(H,22,30)(H,23,31)(H,24,29)(H,26,27)/t8-,12-,13-/m0/s1