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

Systemtic Name: 3-[[3-(methoxycarbonylamino)-4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(methoxycarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-(methoxycarbonylamino)-4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(methoxycarbonylamino)-4-[4-(morpholine-4-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(carbomethoxyamino)-4-[4-(morpholine-4-carbonyl)piperazino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C25H31N5O7S MolecularWeight: 545.60794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CC=CS2)N3CCN(CC3)C(=O)N4CCOCC4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CC=CS2)N3CCN(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C25H31N5O7S/c1-36-24(34)27-18-15-17(23(33)26-19(16-22(31)32)21-3-2-14-38-21)4-5-20(18)28-6-8-29(9-7-28)25(35)30-10-12-37-13-11-30/h2-5,14-15,19H,6-13,16H2,1H3,(H,26,33)(H,27,34)(H,31,32)