2-[(7S,10S,13S)-10-(1H-indol-3-ylmethyl)-7,13-dimethyl-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-(1H-indol-3-ylmethyl)-7,13-dimethyl-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-(1H-indol-3-ylmethyl)-7,13-dimethyl-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-(1H-indol-3-ylmethyl)-7,13-dimethyl-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-(1H-indol-3-ylmethyl)-7,13-dimethyl-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)-10-(1H-indol-3-ylmethyl)-6,9,12,15-tetraketo-7,13-dimethyl-18-nitro-2,5,8,11,14-pentazabicyclo[14.4.0]eicosa-1(16),17,19-trien-5-yl]acetamide Formula: C28H32N8O7 MolecularWeight: 592.60308

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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)C)CC3=CNC4=CC=CC=C43

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)C)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C28H32N8O7/c1-15-25(38)34-23(11-17-13-31-21-6-4-3-5-19(17)21)27(40)33-16(2)28(41)35(14-24(29)37)10-9-30-22-8-7-18(36(42)43)12-20(22)26(39)32-15/h3-8,12-13,15-16,23,30-31H,9-11,14H2,1-2H3,(H2,29,37)(H,32,39)(H,33,40)(H,34,38)/t15-,16-,23-/m0/s1