3-[[3-[(4-tert-butylphenyl)carbonylamino]-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-[(4-tert-butylphenyl)carbonylamino]-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(4-carbomethoxypiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C31H36N4O6S MolecularWeight: 592.70574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)OC

InChI

InChI=1S/C31H36N4O6S/c1-31(2,3)22-10-7-20(8-11-22)28(38)32-23-18-21(29(39)33-24(19-27(36)37)26-6-5-17-42-26)9-12-25(23)34-13-15-35(16-14-34)30(40)41-4/h5-12,17-18,24H,13-16,19H2,1-4H3,(H,32,38)(H,33,39)(H,36,37)