200,000+ products from a single source!
sales@angenechem.com
1217636-05-9 | 1,3-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester, (3R,4S)-rel-
CAS No: 1217636-05-9 Catalog No: AG0015V3 MDL No:
Product Description
Catalog Number:
AG0015V3
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester, (3R,4S)-rel-
CAS Number:
1217636-05-9
Molecular Formula:
C18H23N2O6-
Molecular Weight:
363.3850
IUPAC Name:
(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C18H24N2O6/c1-18(2,3)26-16(23)19-14-10-20(9-13(14)15(21)22)17(24)25-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,23)(H,21,22)/t13-,14-/m0/s1
InChI Key:
ZPDUEFCWDPJFBV-KBPBESRZSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CN(C[C@H]1C(=O)[O-])C(=O)OCc1ccccc1
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
364.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.398g/mol
Monoisotopic Mass:
364.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.