5-(1H-indol-3-yl)-3-[2-[methyl(4-pyridin-4-ylbutanoyl)amino]ethanoylamino]pentanoic acid

Systemtic Name: 5-(1H-indol-3-yl)-3-[2-[methyl(4-pyridin-4-ylbutanoyl)amino]ethanoylamino]pentanoic acid Openeye Name: 5-(1H-indol-3-yl)-3-[[2-[methyl-[4-(4-pyridyl)butanoyl]amino]acetyl]amino]pentanoic acid CAS Name: 5-(1H-indol-3-yl)-3-[[2-[methyl-(1-oxo-4-pyridin-4-ylbutyl)amino]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 5-(1H-indol-3-yl)-3-[[2-[methyl(4-pyridin-4-ylbutanoyl)amino]acetyl]amino]pentanoic acid Traditional Name: 5-(1H-indol-3-yl)-3-[[2-[methyl-[4-(4-pyridyl)butanoyl]amino]acetyl]amino]valeric acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CCC1=CNC2=CC=CC=C21)CC(=O)O)C(=O)CCCC3=CC=NC=C3

Isomeric SMILES

CN(CC(=O)NC(CCC1=CNC2=CC=CC=C21)CC(=O)O)C(=O)CCCC3=CC=NC=C3

InChI

InChI=1S/C25H30N4O4/c1-29(24(31)8-4-5-18-11-13-26-14-12-18)17-23(30)28-20(15-25(32)33)10-9-19-16-27-22-7-3-2-6-21(19)22/h2-3,6-7,11-14,16,20,27H,4-5,8-10,15,17H2,1H3,(H,28,30)(H,32,33)