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Home > Nitro Compounds > 16624-64-9
16624-64-9 | L-Tryptophan, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 16624-64-9 Catalog No: AG001WLP MDL No:MFCD00066469
Product Description
Catalog Number:
AG001WLP
Chemical Name:
L-Tryptophan, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
16624-64-9
Molecular Formula:
C25H21N3O6
Molecular Weight:
459.4507
MDL Number:
MFCD00066469
IUPAC Name:
(4-nitrophenyl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C25H21N3O6/c29-24(34-20-12-10-19(11-13-20)28(31)32)23(14-18-15-26-22-9-5-4-8-21(18)22)27-25(30)33-16-17-6-2-1-3-7-17/h1-13,15,23,26H,14,16H2,(H,27,30)/t23-/m0/s1
InChI Key:
MGXAOGDOJXOYRA-QHCPKHFHSA-N
SMILES:
O=C(N[C@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])Cc1c[nH]c2c1cccc2)OCc1ccccc1
EC Number:
240-674-5
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
459.143g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.458g/mol
Monoisotopic Mass:
459.143g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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