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

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic 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)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NCC1=CC=CS1)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S/c1-14(2)19(23-18(24)12-16-8-5-4-6-9-16)21(26)27-15(3)20(25)22-13-17-10-7-11-28-17/h4-11,14-15,19H,12-13H2,1-3H3,(H,22,25)(H,23,24)/t15-,19+/m1/s1