Name: Name:1,2-Pyrrolidinedicarboxylic acid, 4-[[2-[4-(1-methylethoxy)phenyl]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
Brand: Angene
SKU: AG000ZCE
Rating: 90 (10 reviews)

1,2-Pyrrolidinedicarboxylic acid, 4-[[2-[4-(1-methylethoxy)phenyl]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-

CAS No.:

1315326-78-3

Catalog Number:

AG000ZCE

Molecular Formula:

C29H30N3O7-

Molecular Weight:

532.5644

Catalog Number:

AG000ZCE

Chemical Name:

1,2-Pyrrolidinedicarboxylic acid, 4-[[2-[4-(1-methylethoxy)phenyl]benzofuro[3,2-d]pyrimidin-4-yl]oxy]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-

CAS Number:

1315326-78-3

Molecular Formula:

C29H30N3O7-

Molecular Weight:

532.5644

MDL Number:

MFCD30566066

IUPAC Name:

(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[[2-(4-propan-2-yloxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]pyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C29H31N3O7/c1-16(2)36-18-12-10-17(11-13-18)25-30-23-20-8-6-7-9-22(20)38-24(23)26(31-25)37-19-14-21(27(33)34)32(15-19)28(35)39-29(3,4)5/h6-13,16,19,21H,14-15H2,1-5H3,(H,33,34)/t19-,21+/m1/s1

InChI Key:

MMTXNFCOCXSDOW-CTNGQTDRSA-N

SMILES:

CC(Oc1ccc(cc1)c1nc(O[C@H]2CN([C@@H](C2)C(=O)[O-])C(=O)OC(C)(C)C)c2c(n1)c1ccccc1o2)C

Complexity:

871

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

533.216g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

533.581g/mol

Monoisotopic Mass:

533.216g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5