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

Systemtic Name: 3-[[3-benzamido-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(3,3-dimethylbutanoyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H37N5O5 MolecularWeight: 571.66668

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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)NC(=O)C4=CC=CC=C4

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)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H37N5O5/c1-32(2,3)20-28(38)37-16-14-36(15-17-37)27-12-11-23(18-26(27)35-30(41)22-8-5-4-6-9-22)31(42)34-25(19-29(39)40)24-10-7-13-33-21-24/h4-13,18,21,25H,14-17,19-20H2,1-3H3,(H,34,42)(H,35,41)(H,39,40)