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680972-45-6

680972-45-6 | L-Threonine, L-seryl-L-seryl-L-leucyl-L-arginyl-L-alanyl-L-seryl-

CAS No: 680972-45-6 Catalog No: AG006FZO MDL No:

Product Description

Catalog Number:
AG006FZO
Chemical Name:
L-Threonine, L-seryl-L-seryl-L-leucyl-L-arginyl-L-alanyl-L-seryl-
CAS Number:
680972-45-6
Molecular Formula:
C28H52N10O12
Molecular Weight:
720.7723
IUPAC Name:
(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C28H52N10O12/c1-12(2)8-17(35-25(47)18(10-40)37-22(44)15(29)9-39)24(46)34-16(6-5-7-32-28(30)31)23(45)33-13(3)21(43)36-19(11-41)26(48)38-20(14(4)42)27(49)50/h12-20,39-42H,5-11,29H2,1-4H3,(H,33,45)(H,34,46)(H,35,47)(H,36,43)(H,37,44)(H,38,48)(H,49,50)(H4,30,31,32)/t13-,14+,15-,16-,17-,18-,19-,20-/m0/s1
InChI Key:
QEYAMYDLLSTVCB-RGJFDMQWSA-N
SMILES:
OC[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@H](O)C)CO)C)CCCNC(=N)N)CC(C)C)NC(=O)[C@H](CO)N

Properties

Complexity:
1200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
720.377g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
720.782g/mol
Monoisotopic Mass:
720.377g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
383A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.2  

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