5-[[(2S)-2-[(4-methylphenyl)methylcarbamoylamino]-3-phenyl-propanoyl]amino]-N-oxidanyl-1-benzothiophene-2-carboxamide

Systemtic Name: 5-[[(2S)-2-[(4-methylphenyl)methylcarbamoylamino]-3-phenyl-propanoyl]amino]-N-oxidanyl-1-benzothiophene-2-carboxamide Openeye Name: (2S)-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-2-(p-tolylmethylcarbamoylamino)propanamide CAS Name: N-hydroxy-5-[[(2S)-2-[[[(4-methylphenyl)methylamino]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-hydroxy-5-[[(2S)-2-[(4-methylphenyl)methylcarbamoylamino]-3-phenylpropanoyl]amino]-1-benzothiophene-2-carboxamide Traditional Name: (2S)-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-2-[(4-methylbenzyl)carbamoylamino]-3-phenyl-propionamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)NO

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)NO

InChI

InChI=1S/C27H26N4O4S/c1-17-7-9-19(10-8-17)16-28-27(34)30-22(13-18-5-3-2-4-6-18)25(32)29-21-11-12-23-20(14-21)15-24(36-23)26(33)31-35/h2-12,14-15,22,35H,13,16H2,1H3,(H,29,32)(H,31,33)(H2,28,30,34)/t22-/m0/s1