(2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-[4-(dimethylamino)benzoyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[(4-dimethylaminophenyl)-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[4-(dimethylamino)benzoyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-[4-(dimethylamino)benzoyl]-1-(2-thenoyl)piperazine-2-carboxamide Formula: C28H37N5O4S MolecularWeight: 539.68948

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3CCCCC3)C(=O)N)C(=O)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@@H](C2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H37N5O4S/c1-31(2)21-12-10-20(11-13-21)27(36)32-14-15-33(28(37)24-9-6-16-38-24)23(18-32)26(35)30-22(25(29)34)17-19-7-4-3-5-8-19/h6,9-13,16,19,22-23H,3-5,7-8,14-15,17-18H2,1-2H3,(H2,29,34)(H,30,35)/t22-,23-/m0/s1