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863033-47-0

863033-47-0 | L-Alanine, L-lysyl-L-alanyl-L-asparaginyl-L-threonyl-L-alanyl-L-threonyl-

CAS No: 863033-47-0 Catalog No: AG004MRJ MDL No:

Product Description

Catalog Number:
AG004MRJ
Chemical Name:
L-Alanine, L-lysyl-L-alanyl-L-asparaginyl-L-threonyl-L-alanyl-L-threonyl-
CAS Number:
863033-47-0
Molecular Formula:
C27H49N9O11
Molecular Weight:
675.7317
IUPAC Name:
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid
InChI:
InChI=1S/C27H49N9O11/c1-11(31-23(42)16(29)8-6-7-9-28)21(40)34-17(10-18(30)39)24(43)36-20(15(5)38)25(44)32-12(2)22(41)35-19(14(4)37)26(45)33-13(3)27(46)47/h11-17,19-20,37-38H,6-10,28-29H2,1-5H3,(H2,30,39)(H,31,42)(H,32,44)(H,33,45)(H,34,40)(H,35,41)(H,36,43)(H,46,47)/t11-,12-,13-,14+,15+,16-,17-,19-,20-/m0/s1
InChI Key:
GLXIBBKOHWIJRH-KIZCVYJJSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)C)[C@H](O)C)CC(=O)N)C)N

Properties

Complexity:
1140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
675.355g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
675.741g/mol
Monoisotopic Mass:
675.355g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
348A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.5  

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