2-[[2-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[[2-[2-[2,6-bis(azanyl)hexanoylamino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid; 2,2,2-trifluoroacetic acid Formula: C21H33F6N5O11 MolecularWeight: 645.504039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCN)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCN)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H31N5O7.2C2HF3O2/c1-9(2)14(17(28)29)22-16(27)11(7-13(24)25)21-12(23)8-20-15(26)10(19)5-3-4-6-18;2*3-2(4,5)1(6)7/h9-11,14H,3-8,18-19H2,1-2H3,(H,20,26)(H,21,23)(H,22,27)(H,24,25)(H,28,29);2*(H,6,7)