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

Systemtic Name: 3-[[3-(cyclopropylcarbonylamino)-4-(4-cyclopropylcarbonyl-2,5-dimethyl-piperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclopropyl(oxo)methyl]amino]-4-[4-[cyclopropyl(oxo)methyl]-2,5-dimethyl-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(cyclopropanecarbonylamino)-4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C28H34N4O5S MolecularWeight: 538.65836

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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)C5CC5

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)C5CC5

InChI

InChI=1S/C28H34N4O5S/c1-16-15-32(28(37)19-7-8-19)17(2)14-31(16)23-10-9-20(12-21(23)29-26(35)18-5-6-18)27(36)30-22(13-25(33)34)24-4-3-11-38-24/h3-4,9-12,16-19,22H,5-8,13-15H2,1-2H3,(H,29,35)(H,30,36)(H,33,34)