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

Systemtic Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-2,5-dimethyl-piperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-2,5-dimethyl-piperazin-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-(4-methoxycarbonyl-2,5-dimethyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-benzamido-4-(4-methoxycarbonyl-2,5-dimethylpiperazin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-(4-carbomethoxy-2,5-dimethyl-piperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C29H32N4O6S MolecularWeight: 564.65258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)OC)C)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(C(CN1C(=O)OC)C)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O6S/c1-18-17-33(29(38)39-3)19(2)16-32(18)24-12-11-21(14-22(24)30-27(36)20-8-5-4-6-9-20)28(37)31-23(15-26(34)35)25-10-7-13-40-25/h4-14,18-19,23H,15-17H2,1-3H3,(H,30,36)(H,31,37)(H,34,35)