Name: Name:1,3-Pyrrolidinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-Methoxyphenyl)-, 1-(1,1-diMethylethyl) ester, (2α,3β,4α)-
Brand: Angene
SKU: AG00ABGA
Rating: 90 (10 reviews)

1,3-Pyrrolidinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-Methoxyphenyl)-, 1-(1,1-diMethylethyl) ester, (2α,3β,4α)-

CAS No.:

173864-48-7

Catalog Number:

AG00ABGA

Molecular Formula:

C24H27NO7

Molecular Weight:

441.4737

Catalog Number:

AG00ABGA

Chemical Name:

1,3-Pyrrolidinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-Methoxyphenyl)-, 1-(1,1-diMethylethyl) ester, (2α,3β,4α)-

CAS Number:

173864-48-7

Molecular Formula:

C24H27NO7

Molecular Weight:

441.4737

MDL Number:

MFCD26960986

IUPAC Name:

(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C24H27NO7/c1-24(2,3)32-23(28)25-12-17(15-7-10-18-19(11-15)31-13-30-18)20(22(26)27)21(25)14-5-8-16(29-4)9-6-14/h5-11,17,20-21H,12-13H2,1-4H3,(H,26,27)/t17-,20-,21+/m1/s1

InChI Key:

WTLIRKDJWDADOA-UIFIKXQLSA-N

SMILES:

COc1ccc(cc1)[C@@H]1N(C[C@@H]([C@H]1C(=O)O)c1ccc2c(c1)OCO2)C(=O)OC(C)(C)C

Complexity:

684

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

441.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

441.48g/mol

Monoisotopic Mass:

441.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5