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

Systemtic Name: 3-[[4-(4-cyclopropylcarbonyl-2,5-dimethyl-piperazin-1-yl)-3-(2-phenylethanoylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-2,5-dimethyl-1-piperazinyl]-3-[(1-oxo-2-phenylethyl)amino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)-2,5-dimethyl-piperazino]-3-[(2-phenylacetyl)amino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C32H36N4O5S MolecularWeight: 588.71704

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C32H36N4O5S/c1-20-19-36(32(41)23-10-11-23)21(2)18-35(20)27-13-12-24(16-25(27)33-29(37)15-22-7-4-3-5-8-22)31(40)34-26(17-30(38)39)28-9-6-14-42-28/h3-9,12-14,16,20-21,23,26H,10-11,15,17-19H2,1-2H3,(H,33,37)(H,34,40)(H,38,39)