(3S)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-phenyl-4-thiophen-2-ylcarbonyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-phenyl-4-thiophen-2-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-phenyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3S)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[oxo(thiophen-2-yl)methyl]-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-phenyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3S)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-N-phenyl-4-(2-thenoyl)piperazine-1,3-dicarboxamide Formula: C26H33N5O4S MolecularWeight: 511.63632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H33N5O4S/c27-23(32)20(16-18-8-3-1-4-9-18)29-24(33)21-17-30(26(35)28-19-10-5-2-6-11-19)13-14-31(21)25(34)22-12-7-15-36-22/h2,5-7,10-12,15,18,20-21H,1,3-4,8-9,13-14,16-17H2,(H2,27,32)(H,28,35)(H,29,33)/t20-,21-/m0/s1