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819802-70-5 | L-Valine, L-alanyl-L-seryl-L-cysteinyl-L-seryl-
CAS No: 819802-70-5 Catalog No: AG0055EB MDL No:
Product Description
Catalog Number:
AG0055EB
Chemical Name:
L-Valine, L-alanyl-L-seryl-L-cysteinyl-L-seryl-
CAS Number:
819802-70-5
Molecular Formula:
C17H31N5O8S
Molecular Weight:
465.5217
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C17H31N5O8S/c1-7(2)12(17(29)30)22-15(27)10(5-24)20-16(28)11(6-31)21-14(26)9(4-23)19-13(25)8(3)18/h7-12,23-24,31H,4-6,18H2,1-3H3,(H,19,25)(H,20,28)(H,21,26)(H,22,27)(H,29,30)/t8-,9-,10-,11-,12-/m0/s1
InChI Key:
NSVUTVHDDRAATH-HTFCKZLJSA-N
SMILES:
SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](N)C)CO
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
465.189g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
465.522g/mol
Monoisotopic Mass:
465.189g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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