[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [(1S)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [(2S)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [(1S)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=C(C=CS1)C#N)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)OC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O4S/c1-13(2)18(23-17(25)11-15-7-5-4-6-8-15)21(27)28-14(3)19(26)24-20-16(12-22)9-10-29-20/h4-10,13-14,18H,11H2,1-3H3,(H,23,25)(H,24,26)/t14-,18-/m0/s1