N-[(2S)-1-(8-azanyloctylamino)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-(8-azanyloctylamino)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S)-1-(8-aminooctylcarbamoyl)-4-guanidino-butyl]benzamide CAS Name: N-[(2S)-1-(8-aminooctylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(8-aminooctylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S)-1-(8-aminooctylcarbamoyl)-4-guanidino-butyl]benzamide Formula: C21H36N6O2 MolecularWeight: 404.54954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NCCCCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCCCCCCN

InChI

InChI=1S/C21H36N6O2/c22-14-8-3-1-2-4-9-15-25-20(29)18(13-10-16-26-21(23)24)27-19(28)17-11-6-5-7-12-17/h5-7,11-12,18H,1-4,8-10,13-16,22H2,(H,25,29)(H,27,28)(H4,23,24,26)/t18-/m0/s1