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701915-28-8

701915-28-8 | L-Threonine, glycyl-L-alanyl-L-seryl-L-isoleucyl-L-arginyl-L-alanyl-

CAS No: 701915-28-8 Catalog No: AG005KPX MDL No:

Product Description

Catalog Number:
AG005KPX
Chemical Name:
L-Threonine, glycyl-L-alanyl-L-seryl-L-isoleucyl-L-arginyl-L-alanyl-
CAS Number:
701915-28-8
Molecular Formula:
C27H50N10O10
Molecular Weight:
674.7469
IUPAC Name:
(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxybutanoic acid
InChI:
InChI=1S/C27H50N10O10/c1-6-12(2)19(36-24(44)17(11-38)35-21(41)13(3)32-18(40)10-28)25(45)34-16(8-7-9-31-27(29)30)23(43)33-14(4)22(42)37-20(15(5)39)26(46)47/h12-17,19-20,38-39H,6-11,28H2,1-5H3,(H,32,40)(H,33,43)(H,34,45)(H,35,41)(H,36,44)(H,37,42)(H,46,47)(H4,29,30,31)/t12-,13-,14-,15+,16-,17-,19-,20-/m0/s1
InChI Key:
YEEGDPMOFGQQQQ-QMOMMWDFSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)C)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)C)CO)C

Properties

Complexity:
1130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
674.371g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
674.757g/mol
Monoisotopic Mass:
674.371g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
343A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.5  

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