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

Systemtic Name: 3-[[3-(cyclobutylcarbonylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[cyclobutyl(oxo)methyl]amino]-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(cyclobutanecarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C28H35N5O6S MolecularWeight: 569.6724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

C1CC(C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C28H35N5O6S/c34-25(35)18-22(24-5-2-16-40-24)30-27(37)20-6-7-23(21(17-20)29-26(36)19-3-1-4-19)31-8-10-32(11-9-31)28(38)33-12-14-39-15-13-33/h2,5-7,16-17,19,22H,1,3-4,8-15,18H2,(H,29,36)(H,30,37)(H,34,35)