2-azanyl-5-[bis(azanyl)methylideneamino]-N-[2-[(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-[2-[(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]pentanamide Openeye Name: 2-amino-N-[2-[4-bromo-2-(pyridine-2-carbonyl)anilino]-2-oxo-ethyl]-5-guanidino-pentanamide CAS Name: 2-amino-N-[2-[4-bromo-2-[oxo(2-pyridinyl)methyl]anilino]-2-oxoethyl]-5-(diaminomethylideneamino)pentanamide IUPAC Name: 2-amino-N-[2-[4-bromo-2-(pyridine-2-carbonyl)anilino]-2-oxoethyl]-5-(diaminomethylideneamino)pentanamide Traditional Name: 2-amino-N-[2-(4-bromo-2-picolinoyl-anilino)-2-keto-ethyl]-5-guanidino-valeramide Formula: C20H24BrN7O3 MolecularWeight: 490.35366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN7O3/c21-12-6-7-15(13(10-12)18(30)16-5-1-2-8-25-16)28-17(29)11-27-19(31)14(22)4-3-9-26-20(23)24/h1-2,5-8,10,14H,3-4,9,11,22H2,(H,27,31)(H,28,29)(H4,23,24,26)