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167635-65-6

167635-65-6 | L-Serine, L-threonyl-L-tyrosyl-L-prolyl-L-methionyl-

CAS No: 167635-65-6 Catalog No: AG001XHW MDL No:

Product Description

Catalog Number:
AG001XHW
Chemical Name:
L-Serine, L-threonyl-L-tyrosyl-L-prolyl-L-methionyl-
CAS Number:
167635-65-6
Molecular Formula:
C26H39N5O9S
Molecular Weight:
597.6810
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C26H39N5O9S/c1-14(33)21(27)24(37)29-18(12-15-5-7-16(34)8-6-15)25(38)31-10-3-4-20(31)23(36)28-17(9-11-41-2)22(35)30-19(13-32)26(39)40/h5-8,14,17-21,32-34H,3-4,9-13,27H2,1-2H3,(H,28,36)(H,29,37)(H,30,35)(H,39,40)/t14-,17+,18+,19+,20+,21+/m1/s1
InChI Key:
KRQNAJZWTGDCLZ-FALOATQWSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)Cc1ccc(cc1)O

Properties

Complexity:
918  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
597.247g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
597.684g/mol
Monoisotopic Mass:
597.247g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
257A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5  

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