3-[[3-[(4-cyanophenyl)carbonylamino]-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-[(4-cyanophenyl)carbonylamino]-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-[(4-cyanobenzoyl)amino]-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-[(4-cyanobenzoyl)amino]-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-[(4-cyanobenzoyl)amino]-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C30H29N5O5S MolecularWeight: 571.64676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H29N5O5S/c31-18-19-3-5-20(6-4-19)28(38)32-23-16-22(29(39)33-24(17-27(36)37)26-2-1-15-41-26)9-10-25(23)34-11-13-35(14-12-34)30(40)21-7-8-21/h1-6,9-10,15-16,21,24H,7-8,11-14,17H2,(H,32,38)(H,33,39)(H,36,37)