N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-4-methoxy-pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-4-methoxy-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-4-methoxypyrrolidine-2-carboxamide Traditional Name: 1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-4-methoxy-N-piperonyl-pyrrolidine-2-carboxamide Formula: C32H35N3O8 MolecularWeight: 589.6356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NCC4=CC5=C(C=C4)OCO5)OC)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NCC4=CC5=C(C=C4)OCO5)OC)O

InChI

InChI=1S/C32H35N3O8/c1-19-23(9-6-10-26(19)36)30(38)34-24(13-20-7-4-3-5-8-20)29(37)32(40)35-17-22(41-2)15-25(35)31(39)33-16-21-11-12-27-28(14-21)43-18-42-27/h3-12,14,22,24-25,29,36-37H,13,15-18H2,1-2H3,(H,33,39)(H,34,38)