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845509-98-0 | Glycine, L-glutaminyl-L-leucyl-L-leucyl-
CAS No: 845509-98-0 Catalog No: AG00533P MDL No:
Product Description
Catalog Number:
AG00533P
Chemical Name:
Glycine, L-glutaminyl-L-leucyl-L-leucyl-
CAS Number:
845509-98-0
Molecular Formula:
C19H35N5O6
Molecular Weight:
429.5111
IUPAC Name:
2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetic acid
InChI:
InChI=1S/C19H35N5O6/c1-10(2)7-13(18(29)22-9-16(26)27)24-19(30)14(8-11(3)4)23-17(28)12(20)5-6-15(21)25/h10-14H,5-9,20H2,1-4H3,(H2,21,25)(H,22,29)(H,23,28)(H,24,30)(H,26,27)/t12-,13-,14-/m0/s1
InChI Key:
DBPMRIMTFQCWES-IHRRRGAJSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)CC(C)C)NC(=O)[C@H](CCC(=O)N)N)C
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
429.259g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
429.518g/mol
Monoisotopic Mass:
429.259g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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