(4S,7S,10S)-4-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-15-iodanyl-17-nitro-2,5,8-tris(oxidanylidene)-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide

Systemtic Name: (4S,7S,10S)-4-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-15-iodanyl-17-nitro-2,5,8-tris(oxidanylidene)-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Openeye Name: (4S,7S,10S)-4-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-15-iodo-17-nitro-2,5,8-trioxo-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide CAS Name: (4S,7S,10S)-4-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-15-iodo-17-nitro-2,5,8-trioxo-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide IUPAC Name: (4S,7S,10S)-4-(hydroxymethyl)-7-[(4-hydroxyphenyl)methyl]-15-iodo-17-nitro-2,5,8-trioxo-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Traditional Name: (4S,7S,10S)-7-(4-hydroxybenzyl)-15-iodo-2,5,8-triketo-4-methylol-17-nitro-3,6,9,13-tetrazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Formula: C23H25IN6O8 MolecularWeight: 640.38447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(C=C(C=C2C(=O)NC(C(=O)NC(C(=O)NC1C(=O)N)CC3=CC=C(C=C3)O)CO)[N+](=O)[O-])I

Isomeric SMILES

C1CNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CC3=CC=C(C=C3)O)CO)[N+](=O)[O-])I

InChI

InChI=1S/C23H25IN6O8/c24-15-9-12(30(37)38)8-14-19(15)26-6-5-16(20(25)33)27-22(35)17(7-11-1-3-13(32)4-2-11)28-23(36)18(10-31)29-21(14)34/h1-4,8-9,16-18,26,31-32H,5-7,10H2,(H2,25,33)(H,27,35)(H,28,36)(H,29,34)/t16-,17-,18-/m0/s1