3-[(4S,7S,10S)-10-aminocarbonyl-15-iodanyl-4-methyl-17-nitro-2,5,8-tris(oxidanylidene)-3,6,9,13-tetrazabicyclo[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)-3,6,9,13-tetrazabicyclo[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-3,6,9,13-tetrazabicyclo[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-3,6,9,13-tetrazabicyclo[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-3,6,9,13-tetrazabicyclo[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-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-trien-7-yl]propionic acid Formula: C19H23IN6O8 MolecularWeight: 590.32579

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H23IN6O8/c1-8-17(30)25-13(2-3-14(27)28)19(32)24-12(16(21)29)4-5-22-15-10(18(31)23-8)6-9(26(33)34)7-11(15)20/h6-8,12-13,22H,2-5H2,1H3,(H2,21,29)(H,23,31)(H,24,32)(H,25,30)(H,27,28)/t8-,12-,13-/m0/s1