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137681-95-9 | L-Threonine, L-asparaginyl-L-leucyl-L-seryl- (9CI)
CAS No: 137681-95-9 Catalog No: AG0013PS MDL No:
Product Description
Catalog Number:
AG0013PS
Chemical Name:
L-Threonine, L-asparaginyl-L-leucyl-L-seryl- (9CI)
CAS Number:
137681-95-9
Molecular Formula:
C17H31N5O8
Molecular Weight:
433.4567
IUPAC Name:
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C17H31N5O8/c1-7(2)4-10(20-14(26)9(18)5-12(19)25)15(27)21-11(6-23)16(28)22-13(8(3)24)17(29)30/h7-11,13,23-24H,4-6,18H2,1-3H3,(H2,19,25)(H,20,26)(H,21,27)(H,22,28)(H,29,30)
InChI Key:
VPPMKGVWMYIWCM-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CC(C)C
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.217g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
433.462g/mol
Monoisotopic Mass:
433.217g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.1
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