2-[(7S,10S,13S)-10-(hydroxymethyl)-13-methyl-7-(2-methylpropyl)-18-nitro-6,9,12,15-tetrakis(oxidanylidene)-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(16),17,19-trien-5-yl]ethanamide

Systemtic Name: 2-[(7S,10S,13S)-10-(hydroxymethyl)-13-methyl-7-(2-methylpropyl)-18-nitro-6,9,12,15-tetrakis(oxidanylidene)-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(16),17,19-trien-5-yl]ethanamide Openeye Name: 2-[(7S,10S,13S)-10-(hydroxymethyl)-7-isobutyl-13-methyl-18-nitro-6,9,12,15-tetraoxo-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(16),17,19-trien-5-yl]acetamide CAS Name: 2-[(7S,10S,13S)-10-(hydroxymethyl)-13-methyl-7-(2-methylpropyl)-18-nitro-6,9,12,15-tetraoxo-2,5,8,11,14-pentazabicyclo[14.4.0]eicosa-1(16),17,19-trien-5-yl]acetamide IUPAC Name: 2-[(7S,10S,13S)-10-(hydroxymethyl)-13-methyl-7-(2-methylpropyl)-18-nitro-6,9,12,15-tetraoxo-2,5,8,11,14-pentazabicyclo[14.4.0]icosa-1(16),17,19-trien-5-yl]acetamide Traditional Name: 2-[(7S,10S,13S)-7-isobutyl-6,9,12,15-tetraketo-13-methyl-10-methylol-18-nitro-2,5,8,11,14-pentazabicyclo[14.4.0]eicosa-1(16),17,19-trien-5-yl]acetamide Formula: C23H33N7O8 MolecularWeight: 535.55022

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)N(CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1)CC(=O)N)CC(C)C)CO

Isomeric SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N(CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1)CC(=O)N)CC(C)C)CO

InChI

InChI=1S/C23H33N7O8/c1-12(2)8-17-23(36)29(10-19(24)32)7-6-25-16-5-4-14(30(37)38)9-15(16)21(34)26-13(3)20(33)28-18(11-31)22(35)27-17/h4-5,9,12-13,17-18,25,31H,6-8,10-11H2,1-3H3,(H2,24,32)(H,26,34)(H,27,35)(H,28,33)/t13-,17-,18-/m0/s1