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143718-35-8 | L-Prolinamide, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1R)-1-[(3aS,4S,6S,6aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-4-methoxybutyl]-
CAS No: 143718-35-8 Catalog No: AG001I95 MDL No:
Product Description
Catalog Number:
AG001I95
Chemical Name:
L-Prolinamide, N-[(phenylmethoxy)carbonyl]-D-phenylalanyl-N-[(1R)-1-[(3aS,4S,6S,6aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborol-2-yl]-4-methoxybutyl]-
CAS Number:
143718-35-8
IUPAC Name:
2-[1-methoxypropyl-[(2S)-1-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid;2,6,6-trimethylbicyclo[3.1.1]heptane-1,2-diol
InChI:
InChI=1S/C28H35N3O7.C10H18O2/c1-3-24(37-2)31(18-25(32)33)27(35)23-15-10-16-30(23)26(34)22(17-20-11-6-4-7-12-20)29-28(36)38-19-21-13-8-5-9-14-21;1-8(2)7-4-5-9(3,11)10(8,12)6-7/h4-9,11-14,22-24H,3,10,15-19H2,1-2H3,(H,29,36)(H,32,33);7,11-12H,4-6H2,1-3H3/t22-,23-,24?;/m0./s1
InChI Key:
IXJJJVFAVVCXEU-WWLXNTOCSA-N
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
695.378g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
695.854g/mol
Monoisotopic Mass:
695.378g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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