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

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-(cyclooctylamino)-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S)-1-(cyclooctylcarbamoyl)-4-guanidino-butyl]benzamide CAS Name: N-[(2S)-1-(cyclooctylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(cyclooctylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S)-1-(cyclooctylcarbamoyl)-4-guanidino-butyl]benzamide Formula: C21H33N5O2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C(CCCN=C(N)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCC(CCC1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H33N5O2/c22-21(23)24-15-9-14-18(26-19(27)16-10-5-4-6-11-16)20(28)25-17-12-7-2-1-3-8-13-17/h4-6,10-11,17-18H,1-3,7-9,12-15H2,(H,25,28)(H,26,27)(H4,22,23,24)/t18-/m0/s1