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126310-63-2 | L-Alanine, L-alanyl-L-tryptophyl-
CAS No: 126310-63-2 Catalog No: AG000SJX MDL No:
Product Description
Catalog Number:
AG000SJX
Chemical Name:
L-Alanine, L-alanyl-L-tryptophyl-
CAS Number:
126310-63-2
Molecular Formula:
C17H22N4O4
Molecular Weight:
346.3810
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C17H22N4O4/c1-9(18)15(22)21-14(16(23)20-10(2)17(24)25)7-11-8-19-13-6-4-3-5-12(11)13/h3-6,8-10,14,19H,7,18H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t9-,10-,14-/m0/s1
InChI Key:
ZVWXMTTZJKBJCI-BHDSKKPTSA-N
SMILES:
C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1c[nH]c2c1cccc2)N
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
346.164g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
346.387g/mol
Monoisotopic Mass:
346.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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