3-[[3-azanyl-4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-azanyl-4-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-amino-4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-amino-4-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-amino-4-(4-piperonyloylpiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C26H26N4O6S MolecularWeight: 522.57284

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N4O6S/c27-18-12-16(25(33)28-19(14-24(31)32)23-2-1-11-37-23)3-5-20(18)29-7-9-30(10-8-29)26(34)17-4-6-21-22(13-17)36-15-35-21/h1-6,11-13,19H,7-10,14-15,27H2,(H,28,33)(H,31,32)