N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-(phenethylamino)pentan-2-yl]-3-bromanyl-benzamide Openeye Name: 3-bromo-N-[(1S)-4-guanidino-1-(phenethylcarbamoyl)butyl]benzamide CAS Name: 3-bromo-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(phenethylamino)pentan-2-yl]benzamide IUPAC Name: 3-bromo-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(phenethylamino)pentan-2-yl]benzamide Traditional Name: 3-bromo-N-[(1S)-4-guanidino-1-(phenethylcarbamoyl)butyl]benzamide Formula: C21H26BrN5O2 MolecularWeight: 460.36744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(CCCN=C(N)N)NC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)[C@H](CCCN=C(N)N)NC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C21H26BrN5O2/c22-17-9-4-8-16(14-17)19(28)27-18(10-5-12-26-21(23)24)20(29)25-13-11-15-6-2-1-3-7-15/h1-4,6-9,14,18H,5,10-13H2,(H,25,29)(H,27,28)(H4,23,24,26)/t18-/m0/s1