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921766-07-6

921766-07-6 | L-Serine, L-asparaginyl-L-asparaginyl-L-tyrosyl-L-isoleucyl-L-methionyl-

CAS No: 921766-07-6 Catalog No: AG006GME MDL No:

Product Description

Catalog Number:
AG006GME
Chemical Name:
L-Serine, L-asparaginyl-L-asparaginyl-L-tyrosyl-L-isoleucyl-L-methionyl-
CAS Number:
921766-07-6
Molecular Formula:
C31H48N8O11S
Molecular Weight:
740.8248
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C31H48N8O11S/c1-4-15(2)25(30(48)35-19(9-10-51-3)27(45)38-22(14-40)31(49)50)39-29(47)20(11-16-5-7-17(41)8-6-16)37-28(46)21(13-24(34)43)36-26(44)18(32)12-23(33)42/h5-8,15,18-22,25,40-41H,4,9-14,32H2,1-3H3,(H2,33,42)(H2,34,43)(H,35,48)(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,49,50)/t15-,18-,19-,20-,21-,22-,25-/m0/s1
InChI Key:
RLQSTOJQIVUNRB-KFXLWEAGSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)O)CO)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CC(=O)N)Cc1ccc(cc1)O

Properties

Complexity:
1230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
740.316g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
740.83g/mol
Monoisotopic Mass:
740.316g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
361A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.5  

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