3-(4-bromophenyl)-3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]propanoic acid

Systemtic Name: 3-(4-bromophenyl)-3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]propanoic acid Openeye Name: 3-(4-bromophenyl)-3-[[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]carbamoylamino]propanoic acid CAS Name: 3-(4-bromophenyl)-3-[[[[5-[(4-methyl-2-pyridinyl)amino]-1-oxopentyl]hydrazo]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(4-bromophenyl)-3-[[5-[(4-methylpyridin-2-yl)amino]pentanoylamino]carbamoylamino]propanoic acid Traditional Name: 3-(4-bromophenyl)-3-[[5-[(4-methyl-2-pyridyl)amino]pentanoylamino]carbamoylamino]propionic acid Formula: C21H26BrN5O4 MolecularWeight: 492.36624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NCCCCC(=O)NNC(=O)NC(CC(=O)O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=NC=C1)NCCCCC(=O)NNC(=O)NC(CC(=O)O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H26BrN5O4/c1-14-9-11-24-18(12-14)23-10-3-2-4-19(28)26-27-21(31)25-17(13-20(29)30)15-5-7-16(22)8-6-15/h5-9,11-12,17H,2-4,10,13H2,1H3,(H,23,24)(H,26,28)(H,29,30)(H2,25,27,31)