N-acridin-9-yl-8-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]octanamide

Systemtic Name: N-acridin-9-yl-8-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]octanamide Openeye Name: N-acridin-9-yl-8-[[2-[(2-amino-5-guanidino-pentanoyl)amino]acetyl]amino]octanamide CAS Name: N-(9-acridinyl)-8-[[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]octanamide IUPAC Name: N-acridin-9-yl-8-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]octanamide Traditional Name: N-acridin-9-yl-8-[[2-[(2-amino-5-guanidino-pentanoyl)amino]acetyl]amino]caprylamide Formula: C29H40N8O3 MolecularWeight: 548.6797

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)CCCCCCCNC(=O)CNC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)CCCCCCCNC(=O)CNC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C29H40N8O3/c30-22(13-10-18-34-29(31)32)28(40)35-19-26(39)33-17-9-3-1-2-4-16-25(38)37-27-20-11-5-7-14-23(20)36-24-15-8-6-12-21(24)27/h5-8,11-12,14-15,22H,1-4,9-10,13,16-19,30H2,(H,33,39)(H,35,40)(H4,31,32,34)(H,36,37,38)