Home Carbonyls N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester

N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester

CAS No.:
126496-81-9
Catalog Number:
AG00A1L7
Molecular Formula:
C26H24N2O4
Molecular Weight:
428.4798
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Product Description
Catalog Number:
AG00A1L7
Chemical Name:
N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester
CAS Number:
126496-81-9
Molecular Formula:
C26H24N2O4
Molecular Weight:
428.4798
MDL Number:
MFCD01632091
IUPAC Name:
benzyl (2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C26H24N2O4/c29-25(31-17-19-9-3-1-4-10-19)24(15-21-16-27-23-14-8-7-13-22(21)23)28-26(30)32-18-20-11-5-2-6-12-20/h1-14,16,24,27H,15,17-18H2,(H,28,30)/t24-/m1/s1
InChI Key:
UHYCVEDLXBEKPC-XMMPIXPASA-N
SMILES:
O=C(N[C@@H](C(=O)OCc1ccccc1)Cc1c[nH]c2c1cccc2)OCc1ccccc1
Properties
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
428.174g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
428.488g/mol
Monoisotopic Mass:
428.174g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties