methyl 3-[[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-[[[1-adamantyl(oxo)methyl]amino]methyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N2O4S/c1-33-24(30)12-22(23-3-2-8-34-23)29-25(31)21-6-4-17(5-7-21)16-28-26(32)27-13-18-9-19(14-27)11-20(10-18)15-27/h2-8,18-20,22H,9-16H2,1H3,(H,28,32)(H,29,31)