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309258-11-5 | L-Leucine, L-seryl-L-seryl-L-asparaginyl- (9CI)
CAS No: 309258-11-5 Catalog No: AG0031OM MDL No:
Product Description
Catalog Number:
AG0031OM
Chemical Name:
L-Leucine, L-seryl-L-seryl-L-asparaginyl- (9CI)
CAS Number:
309258-11-5
Molecular Formula:
C16H29N5O8
Molecular Weight:
419.4302
IUPAC Name:
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C16H29N5O8/c1-7(2)3-10(16(28)29)20-14(26)9(4-12(18)24)19-15(27)11(6-23)21-13(25)8(17)5-22/h7-11,22-23H,3-6,17H2,1-2H3,(H2,18,24)(H,19,27)(H,20,26)(H,21,25)(H,28,29)/t8-,9-,10-,11-/m0/s1
InChI Key:
SHCNRVMBEFYPNT-NAKRPEOUSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(=O)N)NC(=O)[C@H](CO)N
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
419.202g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
419.435g/mol
Monoisotopic Mass:
419.202g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.5
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