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

Systemtic Name: 5-[[(2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoylamino]-3-phenyl-propanoyl]amino]-N-oxidanyl-1-benzothiophene-2-carboxamide Openeye Name: (2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoylamino]-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-propanamide CAS Name: 5-[[(2S)-2-[[[(2,5-dimethoxyphenyl)methylamino]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide IUPAC Name: 5-[[(2S)-2-[(2,5-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide Traditional Name: (2S)-2-[(2,5-dimethoxybenzyl)carbamoylamino]-N-[2-(hydroxycarbamoyl)benzothiophen-5-yl]-3-phenyl-propionamide Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)NO

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)SC(=C4)C(=O)NO

InChI

InChI=1S/C28H28N4O6S/c1-37-21-9-10-23(38-2)19(14-21)16-29-28(35)31-22(12-17-6-4-3-5-7-17)26(33)30-20-8-11-24-18(13-20)15-25(39-24)27(34)32-36/h3-11,13-15,22,36H,12,16H2,1-2H3,(H,30,33)(H,32,34)(H2,29,31,35)/t22-/m0/s1