methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C21H26N2O5S/c1-21(2,3)28-20(26)22-13-14-7-9-15(10-8-14)19(25)23-16(12-18(24)27-4)17-6-5-11-29-17/h5-11,16H,12-13H2,1-4H3,(H,22,26)(H,23,25)