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

Systemtic Name: 3-[[3-benzamido-4-(2,5-dimethyl-4-morpholin-4-ylcarbonyl-piperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[2,5-dimethyl-4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[2,5-dimethyl-4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-benzamido-4-[2,5-dimethyl-4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-[2,5-dimethyl-4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C32H37N5O6S MolecularWeight: 619.73108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)N2CCOCC2)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)N2CCOCC2)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/C32H37N5O6S/c1-21-20-37(32(42)35-12-14-43-15-13-35)22(2)19-36(21)27-11-10-24(17-25(27)33-30(40)23-7-4-3-5-8-23)31(41)34-26(18-29(38)39)28-9-6-16-44-28/h3-11,16-17,21-22,26H,12-15,18-20H2,1-2H3,(H,33,40)(H,34,41)(H,38,39)