3-[[3-azanyl-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-azanyl-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-amino-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-amino-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-amino-4-[4-(3,3-dimethylbutanoyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N

InChI

InChI=1S/C25H33N5O4/c1-25(2,3)15-22(31)30-11-9-29(10-12-30)21-7-6-17(13-19(21)26)24(34)28-20(14-23(32)33)18-5-4-8-27-16-18/h4-8,13,16,20H,9-12,14-15,26H2,1-3H3,(H,28,34)(H,32,33)