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114460-47-8 | Glycine, N-[N-[N-(N-L-leucyl-L-valyl)-L-valyl]-L-methionyl]- (9CI)
CAS No: 114460-47-8 Catalog No: AG000EG4 MDL No:
Product Description
Catalog Number:
AG000EG4
Chemical Name:
Glycine, N-[N-[N-(N-L-leucyl-L-valyl)-L-valyl]-L-methionyl]- (9CI)
CAS Number:
114460-47-8
Molecular Formula:
C23H43N5O6S
Molecular Weight:
517.6824
IUPAC Name:
2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetic acid
InChI:
InChI=1S/C23H43N5O6S/c1-12(2)10-15(24)20(31)27-19(14(5)6)23(34)28-18(13(3)4)22(33)26-16(8-9-35-7)21(32)25-11-17(29)30/h12-16,18-19H,8-11,24H2,1-7H3,(H,25,32)(H,26,33)(H,27,31)(H,28,34)(H,29,30)
InChI Key:
RBWSNTPJXAARQW-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)N
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.293g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
517.686g/mol
Monoisotopic Mass:
517.293g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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