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

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-1-[3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: 4-amino-1-[2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-N-piperonyl-pyrrolidine-2-carboxamide Formula: C31H34N4O7 MolecularWeight: 574.62426

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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)N)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)N)O

InChI

InChI=1S/C31H34N4O7/c1-18-22(8-5-9-25(18)36)29(38)34-23(12-19-6-3-2-4-7-19)28(37)31(40)35-16-21(32)14-24(35)30(39)33-15-20-10-11-26-27(13-20)42-17-41-26/h2-11,13,21,23-24,28,36-37H,12,14-17,32H2,1H3,(H,33,39)(H,34,38)