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115900-53-3 | Glycine, N-[N-[N-(N-formyl-L-methionyl)-L-leucyl]-L-phenylalanyl]- (9CI)
CAS No: 115900-53-3 Catalog No: AG000H2Z MDL No:
Product Description
Catalog Number:
AG000H2Z
Chemical Name:
Glycine, N-[N-[N-(N-formyl-L-methionyl)-L-leucyl]-L-phenylalanyl]- (9CI)
CAS Number:
115900-53-3
Molecular Formula:
C23H34N4O6S
Molecular Weight:
494.6043
IUPAC Name:
2-[[2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
InChI:
InChI=1S/C23H34N4O6S/c1-15(2)11-18(26-22(32)17(25-14-28)9-10-34-3)23(33)27-19(21(31)24-13-20(29)30)12-16-7-5-4-6-8-16/h4-8,14-15,17-19H,9-13H2,1-3H3,(H,24,31)(H,25,28)(H,26,32)(H,27,33)(H,29,30)
InChI Key:
ATEZMDNGOVANNV-UHFFFAOYSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)O)Cc1ccccc1)CC(C)C)NC=O
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.22g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
494.607g/mol
Monoisotopic Mass:
494.22g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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