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

Systemtic Name: 3-[[3-azanyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-amino-4-(4-benzoylpiperazin-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-amino-4-(4-benzoyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-amino-4-(4-benzoylpiperazin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-amino-4-(4-benzoylpiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C25H26N4O4S MolecularWeight: 478.56334

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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)N)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4S/c26-19-15-18(24(32)27-20(16-23(30)31)22-7-4-14-34-22)8-9-21(19)28-10-12-29(13-11-28)25(33)17-5-2-1-3-6-17/h1-9,14-15,20H,10-13,16,26H2,(H,27,32)(H,30,31)