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Home > Boronic Acids > 184488-31-1
184488-31-1 | Z-D-PHE-PRO-METHOXYPROPYLBOROGLYCINEPINANEDIOL ESTER
CAS No: 184488-31-1 Catalog No: AG00AB9U MDL No:MFCD02259502
Product Description
Catalog Number:
AG00AB9U
Chemical Name:
Z-D-PHE-PRO-METHOXYPROPYLBOROGLYCINEPINANEDIOL ESTER
CAS Number:
184488-31-1
Molecular Formula:
C37H50BN3O7
Molecular Weight:
659.6198
MDL Number:
MFCD02259502
IUPAC Name:
benzyl N-[(2R)-1-[(2S)-2-[[(1S)-4-methoxy-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C37H50BN3O7/c1-36(2)27-22-30(36)37(3)31(23-27)47-38(48-37)32(18-12-20-45-4)40-33(42)29-17-11-19-41(29)34(43)28(21-25-13-7-5-8-14-25)39-35(44)46-24-26-15-9-6-10-16-26/h5-10,13-16,27-32H,11-12,17-24H2,1-4H3,(H,39,44)(H,40,42)/t27-,28+,29-,30-,31+,32+,37-/m0/s1
InChI Key:
OPOYAWWWOKBVEB-YNEJRVCASA-N
SMILES:
COCCC[C@H](B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
659.374g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
659.631g/mol
Monoisotopic Mass:
659.374g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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