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869882-71-3 | (S)-tert-Butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-nitrophenyl)propanoate
CAS No: 869882-71-3 Catalog No: AG004KSX MDL No:MFCD23135375
Product Description
Catalog Number:
AG004KSX
Chemical Name:
(S)-tert-Butyl 2-(((benzyloxy)carbonyl)amino)-3-(4-nitrophenyl)propanoate
CAS Number:
869882-71-3
Molecular Formula:
C21H24N2O6
Molecular Weight:
400.4251
MDL Number:
MFCD23135375
IUPAC Name:
tert-butyl (2S)-3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C21H24N2O6/c1-21(2,3)29-19(24)18(13-15-9-11-17(12-10-15)23(26)27)22-20(25)28-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)/t18-/m0/s1
InChI Key:
MSWPANJTHYPMLA-SFHVURJKSA-N
SMILES:
O=C(N[C@H](C(=O)OC(C)(C)C)Cc1ccc(cc1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
400.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.431g/mol
Monoisotopic Mass:
400.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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