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

Systemtic Name: 3-[[3-benzamido-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-benzoylpiperazin-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-benzoyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-benzoylpiperazin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-(4-benzoylpiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C32H30N4O5S MolecularWeight: 582.6694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H30N4O5S/c37-29(38)21-26(28-12-7-19-42-28)34-31(40)24-13-14-27(25(20-24)33-30(39)22-8-3-1-4-9-22)35-15-17-36(18-16-35)32(41)23-10-5-2-6-11-23/h1-14,19-20,26H,15-18,21H2,(H,33,39)(H,34,40)(H,37,38)