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798541-20-5 | L-Alanine, L-threonyl-L-cysteinyl-L-lysyl-
CAS No: 798541-20-5 Catalog No: AG004ZO2 MDL No:
Product Description
Catalog Number:
AG004ZO2
Chemical Name:
L-Alanine, L-threonyl-L-cysteinyl-L-lysyl-
CAS Number:
798541-20-5
Molecular Formula:
C16H31N5O6S
Molecular Weight:
421.5122
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]propanoic acid
InChI:
InChI=1S/C16H31N5O6S/c1-8(16(26)27)19-13(23)10(5-3-4-6-17)20-14(24)11(7-28)21-15(25)12(18)9(2)22/h8-12,22,28H,3-7,17-18H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)(H,26,27)/t8-,9+,10-,11-,12-/m0/s1
InChI Key:
XGKPLUCIEDFCBQ-OSUNSFLBSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)CS
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
421.2g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
421.513g/mol
Monoisotopic Mass:
421.2g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7
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