5-[[(2S)-2-(3-cyclohexylpropanoylamino)-3-phenyl-propanoyl]amino]-N-oxidanyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[[(2S)-2-(3-cyclohexylpropanoylamino)-3-phenyl-propanoyl]amino]-N-oxidanyl-1-benzothiophene-2-carboxamide Openeye Name: (2S)-2-(3-cyclohexylpropanoylamino)-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-propanamide CAS Name: 5-[[(2S)-2-[(3-cyclohexyl-1-oxopropyl)amino]-1-oxo-3-phenylpropyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide IUPAC Name: 5-[[(2S)-2-(3-cyclohexylpropanoylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide Traditional Name: (2S)-2-(3-cyclohexylpropanoylamino)-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-propionamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)NO

Isomeric SMILES

C1CCC(CC1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)NO

InChI

InChI=1S/C27H31N3O4S/c31-25(14-11-18-7-3-1-4-8-18)29-22(15-19-9-5-2-6-10-19)26(32)28-21-12-13-23-20(16-21)17-24(35-23)27(33)30-34/h2,5-6,9-10,12-13,16-18,22,34H,1,3-4,7-8,11,14-15H2,(H,28,32)(H,29,31)(H,30,33)/t22-/m0/s1