3-[[3-benzamido-4-[2,5-dimethyl-4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-benzamido-4-[2,5-dimethyl-4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-benzoyl-2,5-dimethyl-piperazin-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-benzoyl-2,5-dimethyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-benzoyl-2,5-dimethylpiperazin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-(4-benzoyl-2,5-dimethyl-piperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C34H34N4O5S MolecularWeight: 610.72256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C2=CC=CC=C2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1CN(C(CN1C(=O)C2=CC=CC=C2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H34N4O5S/c1-22-21-38(34(43)25-12-7-4-8-13-25)23(2)20-37(22)29-16-15-26(18-27(29)35-32(41)24-10-5-3-6-11-24)33(42)36-28(19-31(39)40)30-14-9-17-44-30/h3-18,22-23,28H,19-21H2,1-2H3,(H,35,41)(H,36,42)(H,39,40)