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798541-29-4 | L-Alanine, L-valyl-L-seryl-L-cysteinyl-
CAS No: 798541-29-4 Catalog No: AG0055B7 MDL No:
Product Description
Catalog Number:
AG0055B7
Chemical Name:
L-Alanine, L-valyl-L-seryl-L-cysteinyl-
CAS Number:
798541-29-4
Molecular Formula:
C14H26N4O6S
Molecular Weight:
378.4444
IUPAC Name:
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]propanoic acid
InChI:
InChI=1S/C14H26N4O6S/c1-6(2)10(15)13(22)17-8(4-19)11(20)18-9(5-25)12(21)16-7(3)14(23)24/h6-10,19,25H,4-5,15H2,1-3H3,(H,16,21)(H,17,22)(H,18,20)(H,23,24)/t7-,8-,9-,10-/m0/s1
InChI Key:
NHHVKRLVZHZDOS-XKNYDFJKSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CS)NC(=O)[C@H](C(C)C)N
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
378.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
378.444g/mol
Monoisotopic Mass:
378.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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