3-[[3-benzamido-4-(4-cyclopropylcarbonyl-2,5-dimethyl-piperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-benzamido-4-(4-cyclopropylcarbonyl-2,5-dimethyl-piperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[cyclopropyl(oxo)methyl]-2,5-dimethyl-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C31H34N4O5S MolecularWeight: 574.69046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C2CC2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1CN(C(CN1C(=O)C2CC2)C)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H34N4O5S/c1-19-18-35(31(40)22-10-11-22)20(2)17-34(19)26-13-12-23(15-24(26)32-29(38)21-7-4-3-5-8-21)30(39)33-25(16-28(36)37)27-9-6-14-41-27/h3-9,12-15,19-20,22,25H,10-11,16-18H2,1-2H3,(H,32,38)(H,33,39)(H,36,37)