2-[[1-[6-azanyl-2-[(2-azanyl-3-methyl-pentanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[1-[6-azanyl-2-[(2-azanyl-3-methyl-pentanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[1-[6-amino-2-[(2-amino-3-methyl-pentanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[1-[6-amino-2-[(2-amino-3-methyl-pentanoyl)amino]hexanoyl]prolyl]amino]-5-guanidino-valeric acid Formula: C23H44N8O5 MolecularWeight: 512.64606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)O)N

InChI

InChI=1S/C23H44N8O5/c1-3-14(2)18(25)20(33)29-15(8-4-5-11-24)21(34)31-13-7-10-17(31)19(32)30-16(22(35)36)9-6-12-28-23(26)27/h14-18H,3-13,24-25H2,1-2H3,(H,29,33)(H,30,32)(H,35,36)(H4,26,27,28)