(2S,4S)-4-(hexanoylamino)-N-oxidanyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-4-(hexanoylamino)-N-oxidanyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[(3S,5S)-5-(hydroxycarbamoyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]hexanamide CAS Name: (2S,4S)-N-hydroxy-4-(1-oxohexylamino)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-4-(hexanoylamino)-N-hydroxy-1-(3,4,5-trimethoxybenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[(3S,5S)-5-(hydroxycarbamoyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]hexanamide Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1CC(N(C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NO

Isomeric SMILES

CCCCCC(=O)N[C@H]1C[C@H](N(C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)NO

InChI

InChI=1S/C21H31N3O7/c1-5-6-7-8-18(25)22-14-11-15(20(26)23-28)24(12-14)21(27)13-9-16(29-2)19(31-4)17(10-13)30-3/h9-10,14-15,28H,5-8,11-12H2,1-4H3,(H,22,25)(H,23,26)/t14-,15-/m0/s1