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Home > Boronic Acids > 871576-03-3
871576-03-3 | L-Prolinamide,N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1R)-1-borono-4-methoxybutyl]-
CAS No: 871576-03-3 Catalog No: AG00IEE9 MDL No:
Product Description
Catalog Number:
AG00IEE9
Chemical Name:
L-Prolinamide,N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1R)-1-borono-4-methoxybutyl]-
CAS Number:
871576-03-3
IUPAC Name:
[(1R)-4-methoxy-1-[[(2S)-1-[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]butyl]boronic acid
InChI:
InChI=1S/C27H36BN3O7/c1-37-17-9-15-24(28(35)36)30-25(32)23-14-8-16-31(23)26(33)22(18-20-10-4-2-5-11-20)29-27(34)38-19-21-12-6-3-7-13-21/h2-7,10-13,22-24,35-36H,8-9,14-19H2,1H3,(H,29,34)(H,30,32)/t22-,23+,24+/m1/s1
InChI Key:
PAOGOXGDGABPSC-SGNDLWITSA-N
UNII:
2WA50NUH6H
Properties
Complexity:
744
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
525.265g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
525.409g/mol
Monoisotopic Mass:
525.265g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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