5-[bis(azanyl)methylideneamino]-2-[2-(5-bromanyl-1H-indol-3-yl)ethanoylamino]pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-(5-bromanyl-1H-indol-3-yl)ethanoylamino]pentanamide Openeye Name: 2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]-5-guanidino-pentanamide CAS Name: 2-[[2-(5-bromo-1H-indol-3-yl)-1-oxoethyl]amino]-5-(diaminomethylideneamino)pentanamide IUPAC Name: 2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanamide Traditional Name: 2-[[2-(5-bromo-1H-indol-3-yl)acetyl]amino]-5-guanidino-valeramide Formula: C16H21BrN6O2 MolecularWeight: 409.28094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CN2)CC(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CN2)CC(=O)NC(CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C16H21BrN6O2/c17-10-3-4-12-11(7-10)9(8-22-12)6-14(24)23-13(15(18)25)2-1-5-21-16(19)20/h3-4,7-8,13,22H,1-2,5-6H2,(H2,18,25)(H,23,24)(H4,19,20,21)