Home Carboxys 1,2-Pyrrolidinedicarboxylic acid, 4-[[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]carbonyl]oxy]-, 2-methyl 1-(phenylmethyl) ester, (2S,4R)-

1,2-Pyrrolidinedicarboxylic acid, 4-[[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]carbonyl]oxy]-, 2-methyl 1-(phenylmethyl) ester, (2S,4R)-

CAS No.:
700864-09-1
Catalog Number:
AG00FC1Z
Molecular Formula:
C22H31N3O8
Molecular Weight:
465.4968
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Product Description
Catalog Number:
AG00FC1Z
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 4-[[[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]carbonyl]oxy]-, 2-methyl 1-(phenylmethyl) ester, (2S,4R)-
CAS Number:
700864-09-1
Molecular Formula:
C22H31N3O8
Molecular Weight:
465.4968
MDL Number:
MFCD29472368
IUPAC Name:
1-O-benzyl 2-O-methyl (2S,4R)-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyloxy]pyrrolidine-1,2-dicarboxylate
InChI:
InChI=1S/C22H31N3O8/c1-22(2,3)33-20(28)24-11-10-23-19(27)32-16-12-17(18(26)30-4)25(13-16)21(29)31-14-15-8-6-5-7-9-15/h5-9,16-17H,10-14H2,1-4H3,(H,23,27)(H,24,28)/t16-,17+/m1/s1
InChI Key:
JZSUHAKXNRKVKA-SJORKVTESA-N
SMILES:
COC(=O)[C@@H]1C[C@H](CN1C(=O)OCc1ccccc1)OC(=O)NCCNC(=O)OC(C)(C)C
Properties
Complexity:
688  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
465.211g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
465.503g/mol
Monoisotopic Mass:
465.211g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties