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821776-12-9 | L-Valine, L-alanyl-L-asparaginyl-L-phenylalanyl-L-alanyl-
CAS No: 821776-12-9 Catalog No: AG0051BT MDL No:
Product Description
Catalog Number:
AG0051BT
Chemical Name:
L-Valine, L-alanyl-L-asparaginyl-L-phenylalanyl-L-alanyl-
CAS Number:
821776-12-9
Molecular Formula:
C24H36N6O7
Molecular Weight:
520.5786
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C24H36N6O7/c1-12(2)19(24(36)37)30-21(33)14(4)27-22(34)16(10-15-8-6-5-7-9-15)29-23(35)17(11-18(26)31)28-20(32)13(3)25/h5-9,12-14,16-17,19H,10-11,25H2,1-4H3,(H2,26,31)(H,27,34)(H,28,32)(H,29,35)(H,30,33)(H,36,37)/t13-,14-,16-,17-,19-/m0/s1
InChI Key:
GENFZCTXHLMCRA-IXPCIPTPSA-N
SMILES:
NC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C)Cc1ccccc1)NC(=O)[C@@H](N)C
Properties
Complexity:
843
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
520.265g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
520.587g/mol
Monoisotopic Mass:
520.265g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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