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798541-28-3 | L-Alanine, L-valyl-L-valyl-L-glutaminyl-
CAS No: 798541-28-3 Catalog No: AG004ZO0 MDL No:
Product Description
Catalog Number:
AG004ZO0
Chemical Name:
L-Alanine, L-valyl-L-valyl-L-glutaminyl-
CAS Number:
798541-28-3
Molecular Formula:
C18H33N5O6
Molecular Weight:
415.4845
IUPAC Name:
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
InChI:
InChI=1S/C18H33N5O6/c1-8(2)13(20)16(26)23-14(9(3)4)17(27)22-11(6-7-12(19)24)15(25)21-10(5)18(28)29/h8-11,13-14H,6-7,20H2,1-5H3,(H2,19,24)(H,21,25)(H,22,27)(H,23,26)(H,28,29)/t10-,11-,13-,14-/m0/s1
InChI Key:
ZYWZYCIWJGNWAU-IMIFBBOLSA-N
SMILES:
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
415.243g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
415.491g/mol
Monoisotopic Mass:
415.243g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5
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