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

Systemtic Name: 3-[[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazino]-3-(2-thenoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C29H32N6O6S MolecularWeight: 592.66598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CS4)C(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CS4)C(=O)N5CCOCC5

InChI

InChI=1S/C29H32N6O6S/c36-26(37)18-22(21-3-1-7-30-19-21)31-27(38)20-5-6-24(23(17-20)32-28(39)25-4-2-16-42-25)33-8-10-34(11-9-33)29(40)35-12-14-41-15-13-35/h1-7,16-17,19,22H,8-15,18H2,(H,31,38)(H,32,39)(H,36,37)