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823835-41-2

823835-41-2 | L-Glutamic acid, L-leucyl-L-leucyl-L-prolyl-L-alanyl-L-seryl-L-asparaginyl-

CAS No: 823835-41-2 Catalog No: AG005C2E MDL No:

Product Description

Catalog Number:
AG005C2E
Chemical Name:
L-Glutamic acid, L-leucyl-L-leucyl-L-prolyl-L-alanyl-L-seryl-L-asparaginyl-
CAS Number:
823835-41-2
Molecular Formula:
C32H54N8O12
Molecular Weight:
742.8176
IUPAC Name:
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C32H54N8O12/c1-15(2)11-18(33)27(46)38-21(12-16(3)4)31(50)40-10-6-7-23(40)30(49)35-17(5)26(45)39-22(14-41)29(48)37-20(13-24(34)42)28(47)36-19(32(51)52)8-9-25(43)44/h15-23,41H,6-14,33H2,1-5H3,(H2,34,42)(H,35,49)(H,36,47)(H,37,48)(H,38,46)(H,39,45)(H,43,44)(H,51,52)/t17-,18-,19-,20-,21-,22-,23-/m0/s1
InChI Key:
PZVGGDCDEQUJSK-FQJIPJFPSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C)C

Properties

Complexity:
1330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
742.386g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
742.828g/mol
Monoisotopic Mass:
742.386g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
330A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2  

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