N-benzyl-2-(2,6-dimethylphenoxy)-N-[((3R,4S)-4-{[isobutyl(phenylsulfonyl)amino]methyl}pyrrolidin-3-yl)methyl]acetamide (Q27451777)

N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE (English)

19 October 2016

chemical formula

C₃₃H₄₃N₃O₄S

1 reference

N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE (English)

19 October 2016

canonical SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N(CC2CNCC2CN(CC(C)C)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

1 reference

N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE (English)

19 October 2016

isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N(C[C@H]2CNC[C@@H]2CN(CC(C)C)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

1 reference

N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE (English)

InChI=1S/C33H43N3O4S/c1-25(2)20-36(41(38,39)31-16-9-6-10-17-31)23-30-19-34-18-29(30)22-35(21-28-14-7-5-8-15-28)32(37)24-40-33-26(3)12-11-13-27(33)4/h5-17,25,29-30,34H,18-24H2,1-4H3/t29-,30-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE (English)

MQRMHPRUUKDEKO-LOYHVIPDSA-N

19 October 2016

InChIKey

1 reference

N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE (English)

19 October 2016

1 reference

N-Benzyl-2-(2,6-dimethylphenoxy)-N-{[(3R,4R)-4-{[isobutyl(phenylsulfonyl)amino]methyl}-3-pyrrolidinyl]methyl}acetamide (English)

19 October 2016

2 references

N-BENZYL-2-(2,6-DIMETHYLPHENOXY)-N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN-3-YL)METHYL]ACETAMIDE (English)

matched by identifier from

19 October 2016

InChIKey

MQRMHPRUUKDEKO-LOYHVIPDSA-N

1 reference

0 references

1 reference

1XL2 (English)