N-[(2S)-1-(7-azanylheptylamino)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-(7-azanylheptylamino)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S)-1-(7-aminoheptylcarbamoyl)-4-guanidino-butyl]benzamide CAS Name: N-[(2S)-1-(7-aminoheptylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(7-aminoheptylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S)-1-(7-aminoheptylcarbamoyl)-4-guanidino-butyl]benzamide Formula: C20H34N6O2 MolecularWeight: 390.52296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N6O2/c21-13-7-2-1-3-8-14-24-19(28)17(12-9-15-25-20(22)23)26-18(27)16-10-5-4-6-11-16/h4-6,10-11,17H,1-3,7-9,12-15,21H2,(H,24,28)(H,26,27)(H4,22,23,25)/t17-/m0/s1