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

Systemtic Name: (4S,7S,10S)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(hydroxymethyl)-15-iodanyl-17-nitro-2,5,8-tris(oxidanylidene)-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Openeye Name: (4S,7S,10S)-7-(3-amino-3-oxo-propyl)-4-(hydroxymethyl)-15-iodo-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide CAS Name: (4S,7S,10S)-7-(3-amino-3-oxopropyl)-4-(hydroxymethyl)-15-iodo-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide IUPAC Name: (4S,7S,10S)-7-(3-amino-3-oxopropyl)-4-(hydroxymethyl)-15-iodo-17-nitro-2,5,8-trioxo-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Traditional Name: (4S,7S,10S)-7-(3-amino-3-keto-propyl)-15-iodo-2,5,8-triketo-4-methylol-17-nitro-13-oxa-3,6,9-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-10-carboxamide Formula: C19H23IN6O9 MolecularWeight: 606.32519

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2C(=O)NC(C(=O)NC(C(=O)NC1C(=O)N)CCC(=O)N)CO)[N+](=O)[O-])I

Isomeric SMILES

C1COC2=C(C=C(C=C2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N)CCC(=O)N)CO)[N+](=O)[O-])I

InChI

InChI=1S/C19H23IN6O9/c20-10-6-8(26(33)34)5-9-15(10)35-4-3-11(16(22)29)23-18(31)12(1-2-14(21)28)24-19(32)13(7-27)25-17(9)30/h5-6,11-13,27H,1-4,7H2,(H2,21,28)(H2,22,29)(H,23,31)(H,24,32)(H,25,30)/t11-,12-,13-/m0/s1