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124829-21-6

124829-21-6 | L-Serine, L-prolylglycyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-glutaminyl- (9CI)

CAS No: 124829-21-6 Catalog No: AG000MSK MDL No:

Product Description

Catalog Number:
AG000MSK
Chemical Name:
L-Serine, L-prolylglycyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-glutaminyl- (9CI)
CAS Number:
124829-21-6
Molecular Formula:
C34H51N9O11
Molecular Weight:
761.8224
IUPAC Name:
2-[[5-amino-2-[[2-[[2-[[4-amino-4-oxo-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C34H51N9O11/c1-18(2)13-22(31(50)40-21(10-11-26(35)45)30(49)43-25(17-44)34(53)54)41-32(51)23(14-19-7-4-3-5-8-19)42-33(52)24(15-27(36)46)39-28(47)16-38-29(48)20-9-6-12-37-20/h3-5,7-8,18,20-25,37,44H,6,9-17H2,1-2H3,(H2,35,45)(H2,36,46)(H,38,48)(H,39,47)(H,40,50)(H,41,51)(H,42,52)(H,43,49)(H,53,54)
InChI Key:
CZZZFHRIUNAMQM-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N

Properties

Complexity:
1360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
761.371g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
761.834g/mol
Monoisotopic Mass:
761.371g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
330A^2
Undefined Atom Stereocenter Count:
6  
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1  

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