3-[2,5-bis(3-azanylpropylamino)pentanoylamino]-4-(dimethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2,5-bis(3-azanylpropylamino)pentanoylamino]-4-(dimethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-[2,5-bis(3-aminopropylamino)pentanoylamino]-4-(dimethylamino)-4-oxo-butanoic acid CAS Name: 3-[[2,5-bis(3-aminopropylamino)-1-oxopentyl]amino]-4-(dimethylamino)-4-oxobutanoic acid IUPAC Name: 3-[2,5-bis(3-aminopropylamino)pentanoylamino]-4-(dimethylamino)-4-oxobutanoic acid Traditional Name: 3-[2,5-bis(3-aminopropylamino)pentanoylamino]-4-(dimethylamino)-4-keto-butyric acid Formula: C17H36N6O4 MolecularWeight: 388.50554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC(=O)O)NC(=O)C(CCCNCCCN)NCCCN

Isomeric SMILES

CN(C)C(=O)C(CC(=O)O)NC(=O)C(CCCNCCCN)NCCCN

InChI

InChI=1S/C17H36N6O4/c1-23(2)17(27)14(12-15(24)25)22-16(26)13(21-11-5-8-19)6-3-9-20-10-4-7-18/h13-14,20-21H,3-12,18-19H2,1-2H3,(H,22,26)(H,24,25)