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70601-16-0 | L-Tryptophan, 1-formyl-N-[(phenylmethoxy)carbonyl]-
CAS No: 70601-16-0 Catalog No: AG005HQM MDL No:
Product Description
Catalog Number:
AG005HQM
Chemical Name:
L-Tryptophan, 1-formyl-N-[(phenylmethoxy)carbonyl]-
CAS Number:
70601-16-0
Molecular Formula:
C20H18N2O5
Molecular Weight:
366.3673
IUPAC Name:
(2S)-3-(1-formylindol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C20H18N2O5/c23-13-22-11-15(16-8-4-5-9-18(16)22)10-17(19(24)25)21-20(26)27-12-14-6-2-1-3-7-14/h1-9,11,13,17H,10,12H2,(H,21,26)(H,24,25)/t17-/m0/s1
InChI Key:
ZQOPGWMBWKWWGH-KRWDZBQOSA-N
SMILES:
O=Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
366.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.373g/mol
Monoisotopic Mass:
366.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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