(4S,10S)-4-[3-[bis(azanyl)methylideneamino]propyl]-17-fluoranyl-19-nitro-2,5,8-tris(oxidanylidene)-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-10-carboxamide

Systemtic Name: (4S,10S)-4-[3-[bis(azanyl)methylideneamino]propyl]-17-fluoranyl-19-nitro-2,5,8-tris(oxidanylidene)-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-10-carboxamide Openeye Name: (4S,10S)-17-fluoro-4-(3-guanidinopropyl)-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-10-carboxamide CAS Name: (4S,10S)-4-[3-(diaminomethylideneamino)propyl]-17-fluoro-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]eicosa-1(16),17,19-triene-10-carboxamide IUPAC Name: (4S,10S)-4-[3-(diaminomethylideneamino)propyl]-17-fluoro-19-nitro-2,5,8-trioxo-3,6,9,15-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-10-carboxamide Traditional Name: (4S,10S)-17-fluoro-4-(3-guanidinopropyl)-2,5,8-triketo-19-nitro-3,6,9,15-tetrazabicyclo[14.4.0]eicosa-1(16),17,19-triene-10-carboxamide Formula: C21H30FN9O6 MolecularWeight: 523.518003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=C(C=C(C=C2C(=O)NC(C(=O)NCC(=O)NC(C1)C(=O)N)CCCN=C(N)N)[N+](=O)[O-])F

Isomeric SMILES

C1CCNC2=C(C=C(C=C2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C1)C(=O)N)CCCN=C(N)N)[N+](=O)[O-])F

InChI

InChI=1S/C21H30FN9O6/c22-13-9-11(31(36)37)8-12-17(13)26-6-2-1-4-14(18(23)33)29-16(32)10-28-20(35)15(30-19(12)34)5-3-7-27-21(24)25/h8-9,14-15,26H,1-7,10H2,(H2,23,33)(H,28,35)(H,29,32)(H,30,34)(H4,24,25,27)/t14-,15-/m0/s1