6-azanyl-2-[2-[[1-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[1-[2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[[1-[2-[(2-amino-5-guanidino-pentanoyl)amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[[1-[2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[[1-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-[[1-[2-[(2-amino-5-guanidino-pentanoyl)amino]-5-guanidino-pentanoyl]prolyl]amino]propanoylamino]hexanoic acid Formula: C26H50N12O6 MolecularWeight: 626.752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C26H50N12O6/c1-15(20(39)37-18(24(43)44)8-2-3-11-27)35-22(41)19-10-6-14-38(19)23(42)17(9-5-13-34-26(31)32)36-21(40)16(28)7-4-12-33-25(29)30/h15-19H,2-14,27-28H2,1H3,(H,35,41)(H,36,40)(H,37,39)(H,43,44)(H4,29,30,33)(H4,31,32,34)