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74105-03-6 | L-Tryptophan, N-L-asparaginyl-
CAS No: 74105-03-6 Catalog No: AG005HHG MDL No:
Product Description
Catalog Number:
AG005HHG
Chemical Name:
L-Tryptophan, N-L-asparaginyl-
CAS Number:
74105-03-6
Molecular Formula:
C15H18N4O4
Molecular Weight:
318.3278
IUPAC Name:
(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C15H18N4O4/c16-10(6-13(17)20)14(21)19-12(15(22)23)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)/t10-,12-/m0/s1
InChI Key:
RGGVDKVXLBOLNS-JQWIXIFHSA-N
SMILES:
NC(=O)C[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)N
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
318.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
318.333g/mol
Monoisotopic Mass:
318.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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