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

Systemtic Name: 5-[[(2S)-2-(cyclohexylmethylcarbamoylamino)-3-phenyl-propanoyl]amino]-N-oxidanyl-1-benzothiophene-2-carboxamide Openeye Name: (2S)-2-(cyclohexylmethylcarbamoylamino)-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-propanamide CAS Name: 5-[[(2S)-2-[[(cyclohexylmethylamino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide IUPAC Name: 5-[[(2S)-2-(cyclohexylmethylcarbamoylamino)-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide Traditional Name: (2S)-2-(cyclohexylmethylcarbamoylamino)-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-propionamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4S/c31-24(28-20-11-12-22-19(14-20)15-23(35-22)25(32)30-34)21(13-17-7-3-1-4-8-17)29-26(33)27-16-18-9-5-2-6-10-18/h1,3-4,7-8,11-12,14-15,18,21,34H,2,5-6,9-10,13,16H2,(H,28,31)(H,30,32)(H2,27,29,33)/t21-/m0/s1