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245669-47-0

245669-47-0 | L-Serine, glycyl-L-valyl-L-threonyl-L-threonyl-L-seryl-L-leucyl-

CAS No: 245669-47-0 Catalog No: AG002OKR MDL No:

Product Description

Catalog Number:
AG002OKR
Chemical Name:
L-Serine, glycyl-L-valyl-L-threonyl-L-threonyl-L-seryl-L-leucyl-
CAS Number:
245669-47-0
Molecular Formula:
C27H49N7O12
Molecular Weight:
663.7177
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C27H49N7O12/c1-11(2)7-15(22(40)31-17(10-36)27(45)46)29-23(41)16(9-35)30-25(43)20(13(5)37)34-26(44)21(14(6)38)33-24(42)19(12(3)4)32-18(39)8-28/h11-17,19-21,35-38H,7-10,28H2,1-6H3,(H,29,41)(H,30,43)(H,31,40)(H,32,39)(H,33,42)(H,34,44)(H,45,46)/t13-,14-,15+,16+,17+,19+,20+,21+/m1/s1
InChI Key:
WYECVCZYNZFUDC-MKFLOALQSA-N
SMILES:
NCC(=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)CO)CC(C)C)CO)[C@H](O)C)[C@H](O)C)C(C)C

Properties

Complexity:
1070  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
663.344g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
663.726g/mol
Monoisotopic Mass:
663.344g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
319A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6  

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