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

Systemtic Name: 3-[[3-benzamido-4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(4-cyanobenzoyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(4-cyanobenzoyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(4-cyanobenzoyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C33H29N5O5S MolecularWeight: 607.67886

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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=C(C=C5)C#N

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=C(C=C5)C#N

InChI

InChI=1S/C33H29N5O5S/c34-21-22-8-10-24(11-9-22)33(43)38-16-14-37(15-17-38)28-13-12-25(19-26(28)35-31(41)23-5-2-1-3-6-23)32(42)36-27(20-30(39)40)29-7-4-18-44-29/h1-13,18-19,27H,14-17,20H2,(H,35,41)(H,36,42)(H,39,40)