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817624-07-0 | L-Valine, L-lysyl-L-alanyl-L-threonyl-L-threonyl-
CAS No: 817624-07-0 Catalog No: AG005I2G MDL No:
Product Description
Catalog Number:
AG005I2G
Chemical Name:
L-Valine, L-lysyl-L-alanyl-L-threonyl-L-threonyl-
CAS Number:
817624-07-0
Molecular Formula:
C22H42N6O8
Molecular Weight:
518.6043
IUPAC Name:
(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C22H42N6O8/c1-10(2)15(22(35)36)26-20(33)17(13(5)30)28-21(34)16(12(4)29)27-18(31)11(3)25-19(32)14(24)8-6-7-9-23/h10-17,29-30H,6-9,23-24H2,1-5H3,(H,25,32)(H,26,33)(H,27,31)(H,28,34)(H,35,36)/t11-,12+,13+,14-,15-,16-,17-/m0/s1
InChI Key:
DVLGROXVNXPOJJ-NGLPHOLESA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@H](O)C)[C@H](O)C)C)N
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
518.306g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
518.612g/mol
Monoisotopic Mass:
518.306g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
246A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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