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83961-79-9 | L-Leucine,N-[N-(N-formyl-L-methionyl)-L-alanyl]- (9CI)
CAS No: 83961-79-9 Catalog No: AG004R3Q MDL No:
Product Description
Catalog Number:
AG004R3Q
Chemical Name:
L-Leucine,N-[N-(N-formyl-L-methionyl)-L-alanyl]- (9CI)
CAS Number:
83961-79-9
Molecular Formula:
C15H27N3O5S
Molecular Weight:
361.4570
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C15H27N3O5S/c1-9(2)7-12(15(22)23)18-13(20)10(3)17-14(21)11(16-8-19)5-6-24-4/h8-12H,5-7H2,1-4H3,(H,16,19)(H,17,21)(H,18,20)(H,22,23)/t10-,11-,12-/m0/s1
InChI Key:
ZPUCKAJAEIPORH-SRVKXCTJSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)C)NC=O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
361.167g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
361.457g/mol
Monoisotopic Mass:
361.167g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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