[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NCC1=CC=CS1)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O5S/c1-13(2)18(23-20(25)15-7-9-16(27-4)10-8-15)21(26)28-14(3)19(24)22-12-17-6-5-11-29-17/h5-11,13-14,18H,12H2,1-4H3,(H,22,24)(H,23,25)/t14-,18+/m1/s1