[(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2R,3S)-3-methyl-2-phenyl-pentanoate

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2R,3S)-3-methyl-2-phenyl-pentanoate Openeye Name: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] (2R,3S)-3-methyl-2-phenyl-pentanoate CAS Name: (2R,3S)-3-methyl-2-phenylpentanoic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R,3S)-3-methyl-2-phenylpentanoate Traditional Name: (2R,3S)-3-methyl-2-phenyl-valeric acid [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OC(C)C(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C(=O)O[C@@H](C)C(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C20H24N2O4S/c1-4-12(2)16(14-8-6-5-7-9-14)20(25)26-13(3)18(24)22-19-15(17(21)23)10-11-27-19/h5-13,16H,4H2,1-3H3,(H2,21,23)(H,22,24)/t12-,13-,16+/m0/s1