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

Systemtic Name: 4-[2,5-bis(3-azanylpropylamino)pentanoylamino]-5-(dimethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2,5-bis(3-aminopropylamino)pentanoylamino]-5-(dimethylamino)-5-oxo-pentanoic acid CAS Name: 4-[[2,5-bis(3-aminopropylamino)-1-oxopentyl]amino]-5-(dimethylamino)-5-oxopentanoic acid IUPAC Name: 4-[2,5-bis(3-aminopropylamino)pentanoylamino]-5-(dimethylamino)-5-oxopentanoic acid Traditional Name: 4-[2,5-bis(3-aminopropylamino)pentanoylamino]-5-(dimethylamino)-5-keto-valeric acid Formula: C18H38N6O4 MolecularWeight: 402.53212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H38N6O4/c1-24(2)18(28)15(7-8-16(25)26)23-17(27)14(22-13-5-10-20)6-3-11-21-12-4-9-19/h14-15,21-22H,3-13,19-20H2,1-2H3,(H,23,27)(H,25,26)