2-[2-[(2-benzamido-3-methyl-butanoyl)amino]propanoylamino]hexanoic acid; 1,3-bis(bromanyl)propan-2-one

Systemtic Name: 2-[2-[(2-benzamido-3-methyl-butanoyl)amino]propanoylamino]hexanoic acid; 1,3-bis(bromanyl)propan-2-one Openeye Name: 2-[2-[(2-benzamido-3-methyl-butanoyl)amino]propanoylamino]hexanoic acid; 1,3-dibromopropan-2-one CAS Name: 2-[[2-[(2-benzamido-3-methyl-1-oxobutyl)amino]-1-oxopropyl]amino]hexanoic acid; 1,3-dibromo-2-propanone IUPAC Name: 2-[2-[(2-benzamido-3-methylbutanoyl)amino]propanoylamino]hexanoic acid; 1,3-dibromopropan-2-one Traditional Name: 2-[2-[(2-benzamido-3-methyl-butanoyl)amino]propanoylamino]hexanoic acid; 1,3-dibromoacetone Formula: C45H66Br2N6O11 MolecularWeight: 1026.84714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1.CCCCC(C(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1.C(C(=O)CBr)Br

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1.CCCCC(C(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C1=CC=CC=C1.C(C(=O)CBr)Br

InChI

InChI=1S/2C21H31N3O5.C3H4Br2O/c2*1-5-6-12-16(21(28)29)23-18(25)14(4)22-20(27)17(13(2)3)24-19(26)15-10-8-7-9-11-15;4-1-3(6)2-5/h2*7-11,13-14,16-17H,5-6,12H2,1-4H3,(H,22,27)(H,23,25)(H,24,26)(H,28,29);1-2H2