3-[[3-[(3-fluorophenyl)carbonylamino]-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-[(3-fluorophenyl)carbonylamino]-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-[(3-fluorobenzoyl)amino]-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[(3-fluorophenyl)-oxomethyl]amino]-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-[(3-fluorobenzoyl)amino]-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-[(3-fluorobenzoyl)amino]-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C30H32FN5O6S MolecularWeight: 609.668383

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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)F)C(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)C4=CC(=CC=C4)F)C(=O)N5CCOCC5

InChI

InChI=1S/C30H32FN5O6S/c31-22-4-1-3-20(17-22)28(39)32-23-18-21(29(40)33-24(19-27(37)38)26-5-2-16-43-26)6-7-25(23)34-8-10-35(11-9-34)30(41)36-12-14-42-15-13-36/h1-7,16-18,24H,8-15,19H2,(H,32,39)(H,33,40)(H,37,38)