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

Systemtic Name: 3-[[4-(4-morpholin-4-ylcarbonylpiperazin-1-yl)-3-(2-phenoxyethanoylamino)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-3-[(1-oxo-2-phenoxyethyl)amino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(morpholine-4-carbonyl)piperazino]-3-[(2-phenoxyacetyl)amino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C31H35N5O7S MolecularWeight: 621.7039

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)COC4=CC=CC=C4)C(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)COC4=CC=CC=C4)C(=O)N5CCOCC5

InChI

InChI=1S/C31H35N5O7S/c37-28(21-43-23-5-2-1-3-6-23)32-24-19-22(30(40)33-25(20-29(38)39)27-7-4-18-44-27)8-9-26(24)34-10-12-35(13-11-34)31(41)36-14-16-42-17-15-36/h1-9,18-19,25H,10-17,20-21H2,(H,32,37)(H,33,40)(H,38,39)