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827300-36-7

827300-36-7 | L-Phenylalanine, L-alanyl-L-alanyl-L-seryl-L-seryl-L-leucyl-L-glutaminyl-

CAS No: 827300-36-7 Catalog No: AG0050SX MDL No:

Product Description

Catalog Number:
AG0050SX
Chemical Name:
L-Phenylalanine, L-alanyl-L-alanyl-L-seryl-L-seryl-L-leucyl-L-glutaminyl-
CAS Number:
827300-36-7
Molecular Formula:
C32H50N8O11
Molecular Weight:
722.7864
IUPAC Name:
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C32H50N8O11/c1-16(2)12-21(37-30(48)24(15-42)40-31(49)23(14-41)39-27(45)18(4)35-26(44)17(3)33)29(47)36-20(10-11-25(34)43)28(46)38-22(32(50)51)13-19-8-6-5-7-9-19/h5-9,16-18,20-24,41-42H,10-15,33H2,1-4H3,(H2,34,43)(H,35,44)(H,36,47)(H,37,48)(H,38,46)(H,39,45)(H,40,49)(H,50,51)/t17-,18-,20-,21-,22-,23-,24-/m0/s1
InChI Key:
XAPOXNNHOIGXTJ-HRALPVODSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)C)CO

Properties

Complexity:
1230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
722.36g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
722.797g/mol
Monoisotopic Mass:
722.36g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
322A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.3  

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