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

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(2-thenoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H27N5O6S MolecularWeight: 537.58748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H27N5O6S/c1-37-26(36)31-11-9-30(10-12-31)21-7-6-17(14-20(21)29-25(35)22-5-3-13-38-22)24(34)28-19(15-23(32)33)18-4-2-8-27-16-18/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,28,34)(H,29,35)(H,32,33)