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844440-29-5 | L-Valine, L-cysteinyl-L-leucyl-L-cysteinyl-
CAS No: 844440-29-5 Catalog No: AG004WPU MDL No:
Product Description
Catalog Number:
AG004WPU
Chemical Name:
L-Valine, L-cysteinyl-L-leucyl-L-cysteinyl-
CAS Number:
844440-29-5
Molecular Formula:
C17H32N4O5S2
Molecular Weight:
436.5898
IUPAC Name:
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C17H32N4O5S2/c1-8(2)5-11(19-14(22)10(18)6-27)15(23)20-12(7-28)16(24)21-13(9(3)4)17(25)26/h8-13,27-28H,5-7,18H2,1-4H3,(H,19,22)(H,20,23)(H,21,24)(H,25,26)/t10-,11-,12-,13-/m0/s1
InChI Key:
XYWPMNAAPZJZBN-CYDGBPFRSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CS)N)CC(C)C
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
436.181g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
436.586g/mol
Monoisotopic Mass:
436.181g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
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