6-azanyl-2-[2-[[2-[2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]propanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[2-[[2-[2-[[1-(2-azanyl-4-methyl-pentanoyl)pyrrolidin-2-yl]carbonylamino]propanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoylamino]hexanoic acid Openeye Name: 6-amino-2-[2-[[2-[2-[[1-(2-amino-4-methyl-pentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-5-hydroxy-5-oxo-pentanoyl]amino]propanoylamino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[2-[[[1-(2-amino-4-methyl-1-oxopentyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[2-[[2-[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]propanoylamino]-5-hydroxy-5-oxopentanoyl]amino]propanoylamino]hexanoic acid Traditional Name: 6-amino-2-[2-[[2-[2-[[1-(2-amino-4-methyl-pentanoyl)prolyl]amino]propanoylamino]-5-hydroxy-5-keto-pentanoyl]amino]propanoylamino]hexanoic acid Formula: C28H49N7O9 MolecularWeight: 627.73016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49N7O9/c1-15(2)14-18(30)27(42)35-13-7-9-21(35)26(41)32-17(4)23(38)33-19(10-11-22(36)37)25(40)31-16(3)24(39)34-20(28(43)44)8-5-6-12-29/h15-21H,5-14,29-30H2,1-4H3,(H,31,40)(H,32,41)(H,33,38)(H,34,39)(H,36,37)(H,43,44)