(2R)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-N-oxidanyl-5-(phenethylcarbamoylamino)pentanamide

Systemtic Name: (2R)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-N-oxidanyl-5-(phenethylcarbamoylamino)pentanamide Openeye Name: 1-[(4R)-4-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonyl-amino]-5-(hydroxyamino)-5-oxo-pentyl]-3-phenethyl-urea CAS Name: (2R)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-[[oxo-(phenethylamino)methyl]amino]pentanamide IUPAC Name: (2R)-2-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-5-(phenethylcarbamoylamino)pentanamide Traditional Name: 1-[(4R)-5-(hydroxyamino)-5-keto-4-[(4-methoxyphenyl)sulfonyl-piperonyl-amino]pentyl]-3-phenethyl-urea Formula: C29H34N4O8S MolecularWeight: 598.66726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CCCNC(=O)NCCC4=CC=CC=C4)C(=O)NO

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)[C@H](CCCNC(=O)NCCC4=CC=CC=C4)C(=O)NO

InChI

InChI=1S/C29H34N4O8S/c1-39-23-10-12-24(13-11-23)42(37,38)33(19-22-9-14-26-27(18-22)41-20-40-26)25(28(34)32-36)8-5-16-30-29(35)31-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,18,25,36H,5,8,15-17,19-20H2,1H3,(H,32,34)(H2,30,31,35)/t25-/m1/s1