6-azanyl-2-[[1-[5-azanyl-2-[(2-azanyl-3-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[1-[5-azanyl-2-[(2-azanyl-3-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-amino-2-[[1-[5-amino-2-[(2-amino-3-methyl-pentanoyl)amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-amino-2-[[[1-[5-amino-2-[(2-amino-3-methyl-1-oxopentyl)amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[1-[5-amino-2-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[1-[5-amino-2-[(2-amino-3-methyl-pentanoyl)amino]-5-keto-pentanoyl]prolyl]amino]hexanoic acid Formula: C22H40N6O6 MolecularWeight: 484.5896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40N6O6/c1-3-13(2)18(25)20(31)26-14(9-10-17(24)29)21(32)28-12-6-8-16(28)19(30)27-15(22(33)34)7-4-5-11-23/h13-16,18H,3-12,23,25H2,1-2H3,(H2,24,29)(H,26,31)(H,27,30)(H,33,34)